PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

propanamide    932 Propanamide

(Previous)     (Back)     (Next)        

   

    #  Species Formula
   922 FormamideCH3NO
   923 Formamide (Geo)CH3NO
   924 AcetaldoximeC2H5NO
   925 AcetamideC2H5NO
   926 IsoxazoleC3H3NO
   927 OxaloneC3H3NO
   928 AcrylamineC3H5NO
   929 MethoxyacetonitrileC3H5NO
   930 DimethylformamideC3H7NO
   931 N-Methyl acetamideC3H7NO
   932 Propanamide C3H7NO
   933 DimethylaminomethanolC3H9NO
   934 3-Methyl isoxazoleC4H5NO
   935 5-Methyl isoxazoleC4H5NO
   936 2-PyrrolidinoneC4H7NO
   937 4,5-Dihydro-2-methyl oxazoleC4H7NO
   938 MethacrylamideC4H7NO
   939 2-Methyl propanamideC4H9NO
   940 ButanamideC4H9NO
   941 IsobutylamideC4H9NO
   942 N,N-dimethyl acetamideC4H9NO


ΔHf: -61.9 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
Propanamide
 H=-61.89 HR=NIST
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.21157569 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.51152427 +1  124.9484963 +1    0.0000000 +0     2     1     0
  C     1.52490403 +1  109.9049362 +1    0.0810090 +1     3     2     1
  N     1.38835657 +1  118.9665347 +1 -179.9967205 +1     2     1     3
  H     1.10904960 +1  110.0916024 +1 -121.6671017 +1     3     2     4
  H     1.10916441 +1  110.0825728 +1 -116.7267320 +1     3     2     6
  H     1.09912528 +1  111.2976174 +1  -59.5521042 +1     4     3     2
  H     1.09925009 +1  111.2936449 +1  118.1899432 +1     4     3     8
  H     1.09459026 +1  111.6917491 +1  120.8942018 +1     4     3     9
  H     0.99156775 +1  123.4639368 +1  179.9974161 +1     5     2     1
  H     1.00015758 +1  119.6111222 +1 -179.9984287 +1     5     2    11