Accuracy

pentacyclo hexacosa nonane    420 Pentacyclo hexacosa nonane

(Previous)     (Back)     (Next)         Geometry predicted using PM7

   

    #  Species Formula
   410 Meso-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexaneC22H38
   411 n-HexadecylcyclohexaneC22H44
   412 p-QuaterphenylC24H18
   413 1,1'-Diphenyl-1,1'-bicyclohexylC24H30
   414 6,6'-ParacyclophaneC24H32
   415 Tri-n-octylboraneH51BC24
   416 TetraphenylmethaneC25H20
   417 9,9'-Bi-9H-fluoreneC26H18
   418 1,1,1,2-TetraphenylethaneC26H22
   419 1,1,2,2-TetraphenylethaneC26H22
   420 Pentacyclo hexacosa nonane C26H26
   421 2,3-Dimethyl-2,3-bis(4-t-butylphenyl)butaneC26H38
   422 11-n-butyl docosaneC26H54
   423 5-n-butyl docosaneC26H54
   424 9,9'-Dimethyl-9,9'-bifluoreneC28H22
   425 1,1-Diphenyl-1,1-bicyclooctylC28H38
   426 11-Decyl heneicosaneC31H64
   427 2,4,5,7-Tetramethyl-4,5-bis(4-t-butylphenyl) octaneC32H50
   428 DotriacontaneC32H66
   429 4,5-Dipropyl-4,5-bis(4-t-butylphenyl) octaneC34H54
   430 5,6-Dibutyl-5,6-bis(4-t-butylphenyl) decaneC38H62


ΔHf: 78.0 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
Pentacyclo hexacosa nonane
 H=78.0 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39885035 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39837449 +1  119.0562063 +1    0.0000000 +0     1     2     0
  C     1.49808371 +1  120.1409827 +1  171.2694375 +1     1     2     3
  C     1.39232914 +1  119.5278461 +1  -15.4312550 +1     2     1     3
  C     1.39858329 +1  119.6401965 +1    0.2001028 +1     5     2     1
  C     1.39226306 +1  119.5976957 +1   15.2604344 +1     3     1     2
  C     1.49778332 +1  120.2302124 +1 -155.9494859 +1     6     5     2
  C     2.63945948 +1   95.8017941 +1   86.7138881 +1     1     2     5
  C     1.39800064 +1   96.8783519 +1   -1.8679054 +1     9     1     2
  C     1.40606926 +1  116.9557824 +1  107.0587514 +1     9    10     1
  C     1.56747506 +1  110.7836680 +1  -82.4612013 +1     4     1     2
  C     1.39792339 +1  120.2065124 +1   12.8710642 +1    10     9    11
  C     1.40729623 +1  117.8058489 +1   16.2678344 +1    13    10     9
  C     1.49430967 +1  119.8662489 +1 -155.3694225 +1    13    10     9
  C     1.39845785 +1  117.8117309 +1  -28.8671019 +1    11     9    10
  C     1.56719659 +1  110.7981918 +1   86.8947815 +1     8     6     5
  C     1.49443560 +1  122.5534711 +1  142.6304592 +1    11     9    10
  C     7.01495130 +1   80.7469081 +1   60.7548035 +1     1     2     5
  C     1.39608504 +1   48.0116750 +1   75.9795945 +1    19     1     2
  C     1.39396816 +1  119.7320160 +1  -69.2583489 +1    19    20     1
  C     1.39772554 +1  119.2585384 +1    3.8112241 +1    20    19    21
  C     1.56076090 +1  108.2877689 +1   72.5704285 +1    15    13    10
  C     1.39777921 +1  120.4467698 +1  -10.7864981 +1    22    20    19
  C     1.39397958 +1  120.6166769 +1    3.2559424 +1    21    19    20
  C     1.56057696 +1  108.0218382 +1  -78.4071767 +1    18    11     9
  H     1.08598351 +1  120.1587219 +1  170.0573244 +1     2     1     3
  H     1.08624921 +1  120.1506959 +1 -170.1514625 +1     3     1     2
  H     1.10596085 +1  110.8923482 +1  156.2692344 +1     4     1     2
  H     1.10586266 +1  110.9842824 +1   38.9444497 +1     4     1     2
  H     1.08626871 +1  119.9939936 +1 -174.3124747 +1     5     2     1
  H     1.08627710 +1  120.0474548 +1  174.5898827 +1     7     3     1
  H     1.10620581 +1  110.9971470 +1 -151.8214169 +1     8     6     5
  H     1.10588063 +1  110.9828489 +1  -34.4187513 +1     8     6     5
  H     1.08541124 +1  120.0368163 +1 -166.3106097 +1    10     9    11
  H     1.10669811 +1  108.9269570 +1  118.7138466 +1    12     4     1
  H     1.10590890 +1  109.0271738 +1 -126.3599523 +1    12     4     1
  H     1.10542183 +1  111.8989924 +1  -48.3639079 +1    15    13    10
  H     1.10632832 +1  111.6323765 +1 -167.0326378 +1    15    13    10
  H     1.08628689 +1  119.8507971 +1 -165.3969503 +1    16    11     9
  H     1.10719782 +1  109.1163261 +1  119.6505580 +1    17     8     6
  H     1.10620206 +1  109.0697819 +1 -125.5246676 +1    17     8     6
  H     1.10684383 +1  111.1962683 +1  161.4292636 +1    18    11     9
  H     1.10457723 +1  112.4566851 +1   42.7898191 +1    18    11     9
  H     1.08561927 +1  120.2067193 +1 -177.5179909 +1    19    20    22
  H     1.08777997 +1  119.6856239 +1 -178.8341863 +1    21    19    20
  H     1.08863371 +1  119.6925138 +1  174.8975933 +1    22    20    19
  H     1.10555916 +1  109.2004683 +1  158.6791165 +1    23    15    13
  H     1.10755396 +1  109.0279409 +1  -85.9875646 +1    23    15    13
  H     1.08584603 +1  120.0418652 +1  175.3253282 +1    25    21    19
  H     1.10744447 +1  109.0171639 +1   85.0046741 +1    26    18    11
  H     1.10545524 +1  109.2487321 +1 -159.6093626 +1    26    18    11