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octanone-4-oxime    980 Octanone-4-oxime

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    #  Species Formula
   970 N,N-Dimethylamino-2,4-pentadiene-5-alC7H11NO
   971 2-Methoxy-3,3-dimethylbutanenitrileC7H13NO
   972 N,N-DiethylaminoacetoneC7H15NO
   973 N,N-Dimethyl-tert-butylcarboxamideC7H15NO
   974 alpha-oxo BenzeneacetonitrileC8H5NO
   975 1,3-dimethyl-2-nitroso-benzeneC8H9NO
   976 N-methyl-N-phenyl formamideC8H9NO
   977 Octanone-1-oximeC8H17NO
   978 Octanone-2-oximeC8H17NO
   979 Octanone-3-oximeC8H17NO
   980 Octanone-4-oxime C8H17NO
   981 2(1H)-QuinolinoneC9H7NO
   982 3-Phenyl isoxazoleC9H7NO
   983 4-QuinolinolC9H7NO
   984 5-Phenyl isoxazoleC9H7NO
   985 8-QuinolinolC9H7NO
   986 a-CyanoacetophenoneC9H7NO
   987 2,4,6-TrimethylnitrosobenzeneC9H11NO
   988 N,N-Dimethyl benzamideC9H11NO
   989 N,N-Dimethyamino-2,4,6-heptatriene-7-alC9H13NO
   990 2,2,6,6-Tetramethyl-4-piperidinoneC9H17NO


ΔHf: -43.3 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
Octanone-4-oxime
 H=-43.3 HR=NIST
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.09597903 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.52883722 +1  111.4732868 +1    0.0000000 +0     2     1     0
  C     1.53506332 +1  110.6101354 +1   59.1513598 +1     3     2     1
  C     1.53207016 +1  110.4860198 +1  179.9566133 +1     4     3     2
  C     1.50361820 +1  115.3038455 +1 -178.1662184 +1     5     4     3
  N     1.28986689 +1  130.6399400 +1   -4.4870841 +1     6     5     4
  O     1.38403737 +1  115.5133627 +1    0.2146704 +1     7     6     5
  H     1.09603519 +1  107.3374233 +1  122.2670615 +1     2     1     3
  H     1.09527689 +1  107.5438622 +1  115.4833070 +1     2     1     9
  H     1.10620591 +1  109.8607313 +1  121.9736004 +1     3     2     4
  H     1.10631913 +1  109.8650962 +1  116.1985459 +1     3     2    11
  H     1.10775878 +1  109.7124112 +1  121.9164179 +1     4     3     5
  H     1.10735913 +1  109.9636964 +1  116.0604027 +1     4     3    13
  H     1.11234802 +1  108.9549429 +1  122.7824948 +1     5     4     6
  H     1.11269178 +1  109.0123661 +1  114.7552804 +1     5     4    15
  C     1.51526328 +1  112.8529391 +1 -179.8547074 +1     6     5     7
  H     1.00403625 +1  101.9364763 +1 -179.8234953 +1     8     7     6
  C     1.53478714 +1  114.2012870 +1  178.2446374 +1    17     6     5
  H     1.11054203 +1  108.7036276 +1  122.4380830 +1    17     6    19
  H     1.11042121 +1  108.7664772 +1  115.0884499 +1    17     6    20
  C     1.52724242 +1  110.6803248 +1 -179.7958329 +1    19    17     6
  H     1.10809882 +1  109.9682373 +1 -122.3505812 +1    19    17    22
  H     1.10792596 +1  109.9901492 +1 -115.3273458 +1    19    17    23
  H     1.09536207 +1  111.6409829 +1   60.2957887 +1    22    19    17
  H     1.09539129 +1  111.6338491 +1 -120.6383093 +1    22    19    25
  H     1.09630399 +1  110.9458617 +1 -119.6695416 +1    22    19    26