PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

cyclohexamethylenimine    512 Cyclohexamethylenimine

(Previous)     (Back)     (Next)        

   

    #  Species Formula
   502 N-Methyl-n-butylamineC5H13N
   503 1-CyclopentenecarbonitrileC6H7N
   504 2-CyclopentenecarbonitrileC6H7N
   505 2-Methyl pyridineC6H7N
   506 3-Methyl pyridineC6H7N
   507 4-Methyl pyridineC6H7N
   508 AnilineC6H7N
   509 2,5-Dimethyl-1H-pyrroleC6H9N
   510 CyclopentanecarbonitrileC6H9N
   511 2-MethylpiperidineC6H13N
   512 Cyclohexamethylenimine C6H13N
   513 CyclohexanamineC6H13N
   514 Di-n-propylamineC6H15N
   515 DiiospropylamineC6H15N
   516 TriethylamineC6H15N
   517 Trimethylborane-TrimethylamineH18BC6N
   518 Phenyl cyanideC7H5N
   519 1-CyclohexenecarbonitrileC7H9N
   520 2,6-DimethylpyridineC7H9N
   521 2-CyclohexenecarbonitrileC7H9N
   522 BenzylamineC7H9N


ΔHf: -10.8 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
Cyclohexamethylenimine
 H=-10.8 HR=NIST
  N     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.47439363 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.54489963 +1  116.4028179 +1    0.0000000 +0     2     1     0
  C     1.53263895 +1  114.7409619 +1  -33.6494554 +1     3     2     1
  C     1.53550848 +1  113.4248356 +1  -44.6033009 +1     4     3     2
  C     1.53312378 +1  111.8076598 +1   91.0970842 +1     5     4     3
  C     1.47498820 +1  113.3209695 +1   87.3396383 +1     1     2     3
  H     1.01728388 +1  110.8765462 +1 -125.4688381 +1     1     2     7
  H     1.11098972 +1  109.2135781 +1 -124.9327900 +1     2     1     3
  H     1.11599851 +1  106.0271506 +1 -113.6229945 +1     2     1     9
  H     1.10674436 +1  108.4993629 +1 -122.9488444 +1     3     2     4
  H     1.10714099 +1  109.2687104 +1 -114.5430902 +1     3     2    11
  H     1.10800233 +1  108.8159179 +1 -122.1104522 +1     4     3     5
  H     1.10665505 +1  109.8788507 +1 -114.5431521 +1     4     3    13
  H     1.10557194 +1  110.2274500 +1 -123.0175315 +1     5     4     6
  H     1.10695605 +1  109.5295817 +1 -115.7655546 +1     5     4    15
  H     1.10653930 +1  109.6648366 +1  165.4762437 +1     6     5     4
  H     1.10536214 +1  110.0938323 +1 -115.7266217 +1     6     5    17
  H     1.11117027 +1  108.9469575 +1   48.2280409 +1     7     1     2
  H     1.11527002 +1  106.3542998 +1  113.8417842 +1     7     1    19