Accuracy

1,3-dimethyl-2-nitroso-benzene    834 1,3-dimethyl-2-nitroso-benzene

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    #  Species Formula
   824 N,N-DimethylbutyramineC6H13NO
   825 BenzoxazoleC7H5NO
   826 IsocyanatobenzeneC7H5NO
   827 BenzamideC7H7NO
   828 N,N-Dimethylamino-2,4-pentadiene-5-alC7H11NO
   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-benzene C8H9NO
   835 Octanone-1-oximeC8H17NO
   836 Octanone-2-oximeC8H17NO
   837 Octanone-3-oximeC8H17NO
   838 Octanone-4-oximeC8H17NO
   839 2(1H)-QuinolinoneC9H7NO
   840 3-Phenyl isoxazoleC9H7NO
   841 4-QuinolinolC9H7NO
   842 5-Phenyl isoxazoleC9H7NO
   843 8-QuinolinolC9H7NO
   844 a-CyanoacetophenoneC9H7NO


ΔHf: 33.4 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.
  

1,3-dimethyl-2-nitroso-benzene
 H=33.4 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39435477 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39336103 +1  120.2790131 +1    0.0000000 +0     2     1     0
  C     1.39090620 +1  120.4999064 +1   -0.0255451 +1     3     2     1
  C     1.39736883 +1  120.3094955 +1    0.0078761 +1     4     3     2
  C     1.40685153 +1  119.3519498 +1   -0.0057494 +1     5     4     3
  N     1.43052048 +1  124.8865231 +1  179.3644858 +1     6     5     4
  O     1.19105500 +1  119.0797467 +1    3.7345960 +1     7     6     5
  C     1.48869372 +1  119.7903213 +1  179.8121856 +1     1     2     3
  H     1.08772000 +1  119.9740191 +1 -179.9931742 +1     2     1     3
  H     1.09102620 +1  119.6940614 +1 -179.9767930 +1     3     2     4
  H     1.08809412 +1  119.7904565 +1 -179.9995477 +1     4     3     5
  C     1.48637794 +1  119.2741157 +1 -179.9683526 +1     5     4     6
  H     1.10342810 +1  111.2872396 +1  124.5845132 +1     9     1     2
  H     1.10299257 +1  111.0952730 +1  117.6708802 +1     9     1    14
  H     1.09675713 +1  113.2557780 +1  121.1392295 +1     9     1    15
  H     1.10381148 +1  111.3117430 +1  119.0056603 +1    13     5     4
  H     1.09826869 +1  113.1923344 +1 -120.7284169 +1    13     5    17
  H     1.10353600 +1  111.5675533 +1 -120.8774332 +1    13     5    18