Accuracy

1,3,5-tris(t-butyl) pentalene    398 1,3,5-Tri-tert-butyl pentalene

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    #  Species Formula
   388 TricyclohexylboraneH33BC18
   389 Tri-n-hexylboraneH39BC18
   390 2,6-Diphenyl-1,6-heptadieneC19H20
   391 n-TetradecylcyclopentaneC19H38
   392 n-TridecylcyclohexaneC19H38
   393 NonadecaneC19H40
   394 9,10-Dihydro-9,10[1',2']benzanthraceneC20H14
   395 3,9-Dimethylbenz[a]anthraceneC20H16
   396 5,6-Dimethyl chryseneC20H16
   397 9,10-Dimethyl-1,2-benzanthraceneC20H16
   398 1,3,5-Tri-tert-butyl pentalene C20H30
   399 HexacyclopropylethaneC20H30
   400 Tetra-tert-butyltetrahedraneC20H36
   401 Meso-3,4-dicyclohexyl-2,5-dimethylhexaneC20H38
   402 TetradecylcyclohexaneC20H40
   403 EicosaneC20H42
   404 1,8-ParacyclophaneC21H26
   405 HexadecylcyclopentaneC21H42
   406 PentadecylcyclohexaneC21H42
   407 Tri-n-heptylboraneH45BC21
   408 1,1'-Diphenyl-1,1'-bicyclopentylC22H26


ΔHf: 3.4 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
1,3,5-Tri-tert-butyl pentalene
 H=3.4 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.50564138 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.46946097 +1  106.0286717 +1    0.0000000 +0     1     2     0
  C     1.35882660 +1  107.4243143 +1   -0.0223823 +1     3     1     2
  C     1.35094045 +1  108.6182968 +1    0.0245429 +1     2     1     3
  C     1.45689167 +1  105.6242591 +1 -179.9735116 +1     2     1     5
  C     1.36222314 +1  108.2321471 +1    0.0119780 +1     6     2     1
  C     1.34625779 +1  108.8386181 +1  179.9324464 +1     1     2     3
  C     1.49292250 +1  123.2204226 +1 -179.9988984 +1     3     1     4
  C     1.53954963 +1  108.6431615 +1  -59.9332711 +1     9     3     1
  C     1.53957532 +1  108.6576417 +1  119.6926955 +1     9     3    10
  C     1.53757784 +1  111.2149146 +1  120.1570373 +1     9     3    11
  C     1.49260891 +1  130.6786759 +1 -179.8652202 +1     5     2     1
  C     1.53949240 +1  108.6029100 +1  119.3823270 +1    13     5     2
  C     1.53950235 +1  108.6715967 +1  119.8690553 +1    13     5    14
  C     1.53682029 +1  111.1952669 +1  120.0759059 +1    13     5    15
  C     1.49326089 +1  128.7905405 +1  179.8860198 +1     7     6     2
  C     1.54017063 +1  108.9835340 +1  120.3039848 +1    17     7     6
  C     1.54032400 +1  108.8968501 +1  119.8844314 +1    17     7    18
  C     1.53851332 +1  111.1532536 +1  120.0369408 +1    17     7    19
  H     1.06957404 +1  127.9486659 +1 -179.9966032 +1     4     3     1
  H     1.07039696 +1  123.5325617 +1 -179.9971675 +1     6     2     7
  H     1.07030632 +1  129.6608275 +1 -179.9569149 +1     8     1     2
  H     1.09577649 +1  111.0836666 +1  -59.6394316 +1    10     9     3
  H     1.09555340 +1  111.3899217 +1  119.5386444 +1    10     9    24
  H     1.09386992 +1  111.2264631 +1  120.2847163 +1    10     9    25
  H     1.09580380 +1  111.0717779 +1   59.6723283 +1    11     9     3
  H     1.09553582 +1  111.3963951 +1 -119.5398649 +1    11     9    27
  H     1.09386560 +1  111.2268850 +1 -120.2900780 +1    11     9    28
  H     1.09530315 +1  111.3408756 +1  -60.1801475 +1    12     9     3
  H     1.09532659 +1  111.3272688 +1  120.4293898 +1    12     9    30
  H     1.09477219 +1  111.0868724 +1  119.7632925 +1    12     9    31
  H     1.09499433 +1  111.6349159 +1   60.7088866 +1    14    13     5
  H     1.09614026 +1  111.0142868 +1 -119.8396631 +1    14    13    33
  H     1.09428492 +1  111.1118659 +1 -119.9211336 +1    14    13    34
  H     1.09493428 +1  111.6443509 +1  -62.0150331 +1    15    13     5
  H     1.09613661 +1  111.0102366 +1  119.9260876 +1    15    13    36
  H     1.09435798 +1  111.1146384 +1  119.9070907 +1    15    13    37
  H     1.09598893 +1  111.1738431 +1   60.0635592 +1    16    13     5
  H     1.09604269 +1  111.1620857 +1 -119.9617273 +1    16    13    39
  H     1.09429098 +1  111.2890140 +1 -120.0200927 +1    16    13    40
  H     1.09586254 +1  110.9539925 +1  -58.3979596 +1    18    17     7
  H     1.09447781 +1  111.6200452 +1  119.8178059 +1    18    17    42
  H     1.09397406 +1  111.1886056 +1  120.2126330 +1    18    17    43
  H     1.09586675 +1  110.9644173 +1   57.4308555 +1    19    17     7
  H     1.09452758 +1  111.5888745 +1 -119.7637710 +1    19    17    45
  H     1.09389909 +1  111.2117535 +1 -120.2144265 +1    19    17    46
  H     1.09528808 +1  111.2856804 +1   59.8836983 +1    20    17     7
  H     1.09532498 +1  111.2632760 +1 -120.3488962 +1    20    17    48
  H     1.09445632 +1  111.1651953 +1 -119.7995150 +1    20    17    49