Accuracy

acetaldoxime    922 Acetaldoxime

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

    

    #  Species Formula
   912 1,1'-DiadamantylketoneC21H30O
   913 Nitric oxide, cationNO
   914 Nitric oxideNO
   915 Nitrogen oxide (Geo)NO
   916 Lithium oxynitride (Geo)LiNO
   917 NCOCNO
   918 Hydrogen isocyanate (Geo)HCNO
   919 Hydrogen isocyanateHCNO
   920 FormamideCH3NO
   921 Formamide (Geo)CH3NO
   922 Acetaldoxime C2H5NO
   923 AcetamideC2H5NO
   924 IsoxazoleC3H3NO
   925 OxaloneC3H3NO
   926 AcrylamineC3H5NO
   927 MethoxyacetonitrileC3H5NO
   928 DimethylformamideC3H7NO
   929 N-Methyl acetamideC3H7NO
   930 PropanamideC3H7NO
   931 DimethylaminomethanolC3H9NO
   932 3-Methyl isoxazoleC4H5NO


ΔHf: -5.4 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.
  
 PM7
Acetaldoxime
 H=-5.39 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.49332356 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.29082627 +1  118.4614670 +1    0.0000000 +0     2     1     0
  O     1.38715846 +1  111.9877235 +1 -179.9815732 +1     3     2     1
  H     1.10022838 +1  110.8383986 +1  120.0283510 +1     1     2     3
  H     1.10195931 +1  112.7606453 +1   -0.1147279 +1     1     2     3
  H     1.10022356 +1  110.8519537 +1 -120.2721276 +1     1     2     3
  H     1.09647824 +1  116.4579100 +1  -59.9476416 +1     2     1     5
  H     1.00363054 +1  102.5417446 +1 -179.9863750 +1     4     3     2