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

1,2,3,4-tetrahydroquinoline    550 1,2,3,4-Tetrahydroquinoline

(Previous)     (Back)     (Next)        

   

    #  Species Formula
   540 2-Methyl-N-(2-methylpropyl)-1-propanamineC8H19N
   541 Di-sec-butylamineC8H19N
   542 DibutylamineC8H19N
   543 N-(2-Methylpropyl)-1-butanamineC8H19N
   544 n-OctylamineC8H19N
   545 IsoquinolineC9H7N
   546 QuinolineC9H7N
   547 2,6-DimethylbenzonitrileC9H9N
   548 (1a,2a,4a)-Bicyclo[2.2.2]oct-5-ene-2-carbonitrileC9H11N
   549 (1a,2b,4a)-Bicyclo[2.2.2]oct-5-ene-2-carbonitrileC9H11N
   550 1,2,3,4-Tetrahydroquinoline C9H11N
   551 5,6,7,8-TetrahydroquinolineC9H11N
   552 N,N-Dimethyl m-toluidineC9H13N
   553 N,N-Dimethyl p-toluidineC9H13N
   554 N-Ethyl m-toluidineC9H13N
   555 cis-3,7a-H-cis-5,8-H-3,5-DimethylpyrrolizidineC9H17N
   556 Decahydro trans-quinolineC9H17N
   557 2,2,6,6-Tetramethyl piperidineC9H19N
   558 2-Methyl-quinolineC10H9N
   559 4-Methyl-quinolineC10H9N
   560 6-Methyl-quinolineC10H9N


ΔHf: 19.6 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
1,2,3,4-Tetrahydroquinoline
 H=19.6 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.38845767 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39445919 +1  120.4304772 +1    0.0000000 +0     2     1     0
  C     1.39261941 +1  119.7911357 +1    0.7186804 +1     3     2     1
  C     1.39249529 +1  120.8314830 +1   -0.4056473 +1     4     3     2
  C     1.40931336 +1  119.2813509 +1   -1.1231462 +1     5     4     3
  N     1.40499271 +1  122.4514628 +1 -174.4610526 +1     6     5     4
  C     1.47238872 +1  117.6737935 +1   -2.6389720 +1     7     6     5
  C     1.53675393 +1  112.7160915 +1  -30.2450620 +1     8     7     6
  C     1.49618948 +1  120.0972151 +1  179.1861640 +1     5     4     6
  H     1.08598002 +1  120.2340736 +1  179.3058401 +1     1     2     3
  H     1.08912746 +1  119.7075049 +1 -179.9004024 +1     2     1     3
  H     1.08591002 +1  120.1235927 +1  179.6987515 +1     3     2     4
  H     1.08924238 +1  119.5687824 +1  179.5603288 +1     4     3     5
  H     1.01205387 +1  115.2590659 +1 -139.9932640 +1     7     6     8
  H     1.10989753 +1  109.4629410 +1 -123.9058356 +1     8     7     9
  H     1.11711246 +1  107.0364737 +1 -115.4769417 +1     8     7    16
  H     1.10572691 +1  110.4992181 +1  -62.8946077 +1     9     8     7
  H     1.10345666 +1  110.5389051 +1 -117.4919264 +1     9     8    18
  H     1.10855369 +1  110.7489212 +1  -34.1438956 +1    10     5     4
  H     1.11089076 +1  109.5682981 +1  116.2816404 +1    10     5    20