PM7 Accuracy

methacrylamide    939 Methacrylamide

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

   

    #  Species Formula
   929 AcrylamineC3H5NO
   930 MethoxyacetonitrileC3H5NO
   931 DimethylformamideC3H7NO
   932 N-Methyl acetamideC3H7NO
   933 PropanamideC3H7NO
   934 DimethylaminomethanolC3H9NO
   935 3-Methyl isoxazoleC4H5NO
   936 5-Methyl isoxazoleC4H5NO
   937 2-PyrrolidinoneC4H7NO
   938 4,5-Dihydro-2-methyl oxazoleC4H7NO
   939 Methacrylamide C4H7NO
   940 2-Methyl propanamideC4H9NO
   941 ButanamideC4H9NO
   942 IsobutylamideC4H9NO
   943 N,N-dimethyl acetamideC4H9NO
   944 N,N-Diethyl-hydroxylamineC4H11NO
   945 2-PyridinolC5H5NO
   946 3-PyridinolC5H5NO
   947 4-PyridinolC5H5NO
   948 Pyridine 1 oxideC5H5NO
   949 3,5-Dimethyl isoxazoleC5H7NO


DHf: -37.7 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
Methacrylamide
 H=-37.69 HR=NIST
  O     0.27290978  1  -0.08183545  1   0.28647233  1
  C     1.08268718  1   0.12962516  1  -0.59052525  1
  C     1.84631559  1   1.40548349  1  -0.73476906  1
  C     1.08495823  1   2.48942235  1  -1.40615609  1
  C     3.07950961  1   1.52450131  1  -0.24652955  1
  N     1.33648841  1  -0.83863647  1  -1.54597674  1
  H     0.78475890  1   2.20839573  1  -2.42641900  1
  H     0.15791804  1   2.72008782  1  -0.85117101  1
  H     1.65805380  1   3.42435345  1  -1.47950460  1
  H     3.60633568  1   0.72472555  1   0.25382688  1
  H     3.65432591  1   2.43736699  1  -0.29543728  1
  H     1.99789442  1  -0.71115300  1  -2.27717454  1
  H     0.86012375  1  -1.71728253  1  -1.50877229  1