Accuracy

2(1h)-quinolinone    839 2(1H)-Quinolinone

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

    

    #  Species Formula
   829 2-Methoxy-3,3-dimethylbutanenitrileC7H13NO
   830 N,N-DiethylaminoacetoneC7H15NO
   831 N,N-Dimethyl-tert-butylcarboxamideC7H15NO
   832 alpha-oxo BenzeneacetonitrileC8H5NO
   833 N-methyl-N-phenyl formamideC8H9NO
   834 1,3-dimethyl-2-nitroso-benzeneC8H9NO
   835 Octanone-1-oximeC8H17NO
   836 Octanone-2-oximeC8H17NO
   837 Octanone-3-oximeC8H17NO
   838 Octanone-4-oximeC8H17NO
   839 2(1H)-Quinolinone C9H7NO
   840 3-Phenyl isoxazoleC9H7NO
   841 4-QuinolinolC9H7NO
   842 5-Phenyl isoxazoleC9H7NO
   843 8-QuinolinolC9H7NO
   844 a-CyanoacetophenoneC9H7NO
   845 2,4,6-TrimethylnitrosobenzeneC9H11NO
   846 N,N-Dimethyl benzamideC9H11NO
   847 N,N-Dimethyamino-2,4,6-heptatriene-7-alC9H13NO
   848 2,2,6,6-Tetramethyl-4-piperidinoneC9H17NO
   849 2-Methyl-4-hydroxyquinolineC10H9NO


ΔHf: -6.1 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.
  

2(1H)-Quinolinone
 H=-6.09 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.38000450 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.40620658 +1  120.7548979 +1    0.0000000 +0     2     1     0
  C     1.38151791 +1  120.1030093 +1    0.0158190 +1     3     2     1
  C     1.40645062 +1  120.6246738 +1    0.0064846 +1     4     3     2
  C     1.41276992 +1  118.8997229 +1   -0.0122563 +1     5     4     3
  N     1.38794835 +1  119.7036666 +1  179.9776548 +1     6     5     4
  C     1.41629821 +1  122.3779173 +1   -0.0041604 +1     7     6     5
  C     1.45868997 +1  116.6707854 +1    0.0164521 +1     8     7     6
  C     1.34938725 +1  121.4406438 +1   -0.0108915 +1     9     8     7
  H     1.08691801 +1  120.6560254 +1  179.9805422 +1     1     2     3
  H     1.09114233 +1  120.0510877 +1 -179.9865914 +1     2     1     3
  H     1.08732519 +1  119.4213173 +1  179.9974817 +1     3     2     4
  H     1.09061201 +1  120.2574006 +1  179.9935875 +1     4     3     5
  O     1.21260394 +1  116.7335471 +1 -179.9918623 +1     8     7     9
  H     1.08930390 +1  115.2174625 +1 -179.9983203 +1     9     8    10
  H     1.09249042 +1  121.4802683 +1  179.9987788 +1    10     9     8
  H     1.01653549 +1  119.6435689 +1 -179.9877102 +1     7     6     8