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

quinazoline    645 Quinazoline

(Previous)     (Back)     (Next)        

   

    #  Species Formula
   635 1H-IndazoleC7H6N2
   636 1-Methyl-1-phenylhydrazineC7H10N2
   637 t-ButylmalononitrileC7H10N2
   638 Trimethyl pyrazineC7H10N2
   639 1-PiperidineacetonitrileC7H12N2
   640 3,3,5,5-Tetramethyl-1-pyrazolineC7H14N2
   641 m-DicyanobenzeneC8H4N2
   642 o-DicyanobenzeneC8H4N2
   643 p-DicyanobenzeneC8H4N2
   644 PhthalazineC8H6N2
   645 Quinazoline C8H6N2
   646 QuinoxalineC8H6N2
   647 n-PentylmalonodinitrileC8H12N2
   648 TetramethylbutanedinitrileC8H12N2
   649 TetramethylpyrazineC8H12N2
   650 1,4-Dimethyl-2,3-diaza-bicyclo[2.2.2]oct-2-eneC8H14N2
   651 3,4,5,6-Tetrahydro-3,3,6,6-tetramethylpyridazineC8H16N2
   652 Di-n-butyldiazeneC8H18N2
   653 Di-tert-butyldiazeneC8H18N2
   654 1,2-DibutylhydrazineC8H20N2
   655 3-QuinolinamineC9H8N2


ΔHf: 58.1 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
Quinazoline
 H=58.10 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.37079962 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.41926216 +1  120.8996597 +1    0.0000000 +0     2     1     0
  C     1.37242116 +1  120.6659440 +1   -0.0037958 +1     3     2     1
  C     1.41521953 +1  119.7953221 +1   -0.0033451 +1     4     3     2
  C     1.41812854 +1  119.5339101 +1    0.0005575 +1     5     4     3
  N     1.37769929 +1  120.7429147 +1 -179.9916040 +1     6     5     4
  C     1.32394573 +1  118.0619952 +1    0.0001836 +1     7     6     5
  N     1.38297250 +1  124.8563172 +1   -0.0004412 +1     8     7     6
  C     1.32073591 +1  118.0462009 +1    0.0035288 +1     9     8     7
  H     1.09122738 +1  122.3171971 +1 -179.9974023 +1     1     2     3
  H     1.09126653 +1  120.4853213 +1  179.9972529 +1     2     1     3
  H     1.08978622 +1  118.6452665 +1  179.9995834 +1     3     2     4
  H     1.08989224 +1  121.1344835 +1  179.9987257 +1     4     3     5
  H     1.10194506 +1  119.0183989 +1 -179.9998728 +1     8     7     9
  H     1.09839534 +1  117.4346314 +1 -179.9986865 +1    10     9     8