PM7 Accuracy

isobutylamide    942 Isobutylamide

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

   

    #  Species Formula
   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 MethacrylamideC4H7NO
   940 2-Methyl propanamideC4H9NO
   941 ButanamideC4H9NO
   942 Isobutylamide C4H9NO
   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
   950 1-Methyl-2-pyrrolidinoneC5H9NO
   951 2-Ethyl-4,5-dihydro-oxazoleC5H9NO
   952 N,N-Dimethylamino-2-propen-3-alC5H9NO


DHf: -67.5 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
Isobutylamide
 H=-67.5 HR=NIST
  O    -0.00236647  1   0.05086430  1   0.00079501  1
  C     1.19924541  1   0.04452406  1   0.16163710  1
  C     2.06523483  1   1.29687148  1   0.16314967  1
  C     1.91339848  1   1.97089091  1  -1.20163761  1
  H     2.24808703  1   1.31949701  1  -2.01680939  1
  N     1.84758931  1  -1.16505478  1   0.35670031  1
  H     3.13934197  1   1.04885175  1   0.33392614  1
  C     1.57121218  1   2.20615271  1   1.28932809  1
  H     0.86130458  1   2.22290809  1  -1.40264434  1
  H     2.49057695  1   2.90024451  1  -1.25444421  1
  H     1.66373170  1   1.72758228  1   2.27058663  1
  H     0.50888049  1   2.45920538  1   1.15410352  1
  H     2.13164110  1   3.14701098  1   1.31923353  1
  H     2.82702278  1  -1.24236501  1   0.49472986  1
  H     1.32353302  1  -2.01733780  1   0.36184708  1