PM7 Accuracy

6-quinolinamine    658 6-Quinolinamine

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

   

    #  Species Formula
   648 n-PentylmalonodinitrileC8H12N2
   649 TetramethylbutanedinitrileC8H12N2
   650 TetramethylpyrazineC8H12N2
   651 1,4-Dimethyl-2,3-diaza-bicyclo[2.2.2]oct-2-eneC8H14N2
   652 3,4,5,6-Tetrahydro-3,3,6,6-tetramethylpyridazineC8H16N2
   653 Di-n-butyldiazeneC8H18N2
   654 Di-tert-butyldiazeneC8H18N2
   655 1,2-DibutylhydrazineC8H20N2
   656 3-QuinolinamineC9H8N2
   657 5-QuinolinamineC9H8N2
   658 6-Quinolinamine C9H8N2
   659 8-QuinolinamineC9H8N2
   660 2-(Diethylamino)-pentanenitrileC9H18N2
   661 2,2-BipyridylC10H8N2
   662 2,4-BipyridylC10H8N2
   663 4,4'-BipyridineC10H8N2
   664 2,3-Dimethyl quinoxalineC10H10N2
   665 alpha N,N-dimethylamino phenylacetonitrileC10H12N2
   666 Ethyl(1,1-dimethylpropyl)malonodinitrileC10H16N2
   667 Meso-2,3-diethyl-2,3-dimethylsuccinodinitrileC10H16N2
   668 Methyl(1,1,2-trimethylpropyl)malonodinitrileC10H16N2


DHf: 49.3 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
6-Quinolinamine
 H=49.26 HR=NIST
  C     0.00674185  1  -0.00517136  1  -0.00035093  1
  C     1.37529615  1   0.04268383  1  -0.00312435  1
  C     2.02204314  1   1.31563415  1  -0.00378177  1
  N     1.36166706  1   2.45856308  1   0.00043165  1
  C    -0.01100866  1   2.42595501  1   0.00269972  1
  C    -0.73870316  1   1.20874167  1   0.00067312  1
  C    -2.15006498  1   1.23735862  1  -0.00711983  1
  C    -2.81227406  1   2.45566181  1  -0.00759643  1
  C    -2.07814471  1   3.68746292  1   0.00035216  1
  C    -0.71350961  1   3.67036508  1   0.00713679  1
  N    -4.19974999  1   2.50976890  1   0.04369951  1
  H    -0.53013071  1  -0.95254797  1   0.00159586  1
  H     1.97970300  1  -0.85975637  1  -0.00550064  1
  H     3.11607304  1   1.38014832  1  -0.00712219  1
  H    -0.12375292  1   4.59065336  1   0.01546977  1
  H    -2.62512466  1   4.62704227  1   0.01133486  1
  H    -4.66285550  1   3.36562679  1  -0.17109021  1
  H    -4.72453652  1   1.67873557  1  -0.12586516  1
  H    -2.69781026  1   0.30144718  1  -0.00499486  1