Accuracy

meso-2,3-diethyl-2,3-dimethylsuccinodinitrile    664 Meso-2,3-diethyl-2,3-dimethylsuccinodinitrile

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

    

    #  Species Formula
   654 5-QuinolinamineC9H8N2
   655 6-QuinolinamineC9H8N2
   656 8-QuinolinamineC9H8N2
   657 2-(Diethylamino)-pentanenitrileC9H18N2
   658 2,2-BipyridylC10H8N2
   659 2,4-BipyridylC10H8N2
   660 4,4'-BipyridineC10H8N2
   661 2,3-Dimethyl quinoxalineC10H10N2
   662 alpha N,N-dimethylamino phenylacetonitrileC10H12N2
   663 Ethyl(1,1-dimethylpropyl)malonodinitrileC10H16N2
   664 Meso-2,3-diethyl-2,3-dimethylsuccinodinitrile C10H16N2
   665 Methyl(1,1,2-trimethylpropyl)malonodinitrileC10H16N2
   666 PhenazineC12H8N2
   667 PhenazoneC12H8N2
   668 cis-AzobenzeneC12H10N2
   669 Diphenyl diazeneC12H10N2
   670 4,4'-Dimethyl-2,2'-bipyridineC12H12N2
   671 1,(1-Piperidinyl) cyclohexanecarbonitrileC12H20N2
   672 Li(I)(Cp)N2 (SIJNII) (Geo)H23LiC12N2
   673 Li(I)(Cp)N2 (SIJNII)H23LiC12N2
   674 a-Phenyl-1-piperidineacetonitrileC13H16N2


ΔHf: 15.3 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
Meso-2,3-diethyl-2,3-dimethylsuccinodinitrile
 H=15.31 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52635804 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.55074372 +1  113.0155314 +1    0.0000000 +0     2     1     0
  C     1.46000425 +1  108.1145683 +1   62.1090568 +1     3     2     1
  C     1.58049707 +1  110.4473144 +1  118.7933361 +1     3     2     4
  C     1.45940397 +1  108.8966334 +1  -49.9436844 +1     5     3     2
  C     1.54891596 +1  110.3800818 +1  119.8193907 +1     5     3     6
  C     1.52728863 +1  113.0045135 +1 -168.0183751 +1     7     5     3
  C     1.53734348 +1  110.5779748 +1  122.1054992 +1     5     3     7
  C     1.53532261 +1  110.6618543 +1  123.0899749 +1     3     2     5
  N     1.15623112 +1  143.5514975 +1  179.4742859 +1     6     3     5
  N     1.15607179 +1  142.5211142 +1  178.6541179 +1     4     2     3
  H     1.09784986 +1  111.8726230 +1  -54.0014414 +1     1     2     3
  H     1.09536543 +1  112.1212862 +1  121.1208770 +1     1     2    13
  H     1.09794156 +1  110.7906108 +1  119.6532131 +1     1     2    14
  H     1.10758520 +1  109.5656541 +1 -122.4487104 +1     2     1     3
  H     1.11054351 +1  109.0561725 +1 -115.1829983 +1     2     1    16
  H     1.10839249 +1  109.0905689 +1 -121.8748915 +1     7     5     8
  H     1.10816922 +1  110.1005166 +1 -115.8511099 +1     7     5    18
  H     1.09600844 +1  112.2332093 +1  -56.2836854 +1     8     7     5
  H     1.09826814 +1  111.8852951 +1  120.6967714 +1     8     7    20
  H     1.09682472 +1  110.9276629 +1  119.4234967 +1     8     7    21
  H     1.09570352 +1  111.8184563 +1  -58.7595001 +1     9     5     3
  H     1.09927711 +1  112.0775114 +1  120.6887638 +1     9     5    23
  H     1.09825784 +1  111.4129494 +1  119.3859555 +1     9     5    24
  H     1.09656364 +1  112.2247474 +1 -171.2227698 +1    10     3     2
  H     1.09620908 +1  111.5620834 +1  121.2467717 +1    10     3    26
  H     1.09946144 +1  111.2285763 +1  119.2247828 +1    10     3    27