Accuracy

n,n-dimethyl benzamide    988 N,N-Dimethyl benzamide

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

   

    #  Species Formula
   978 Octanone-2-oximeC8H17NO
   979 Octanone-3-oximeC8H17NO
   980 Octanone-4-oximeC8H17NO
   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 benzamide C9H11NO
   989 N,N-Dimethyamino-2,4,6-heptatriene-7-alC9H13NO
   990 2,2,6,6-Tetramethyl-4-piperidinoneC9H17NO
   991 2-Methyl-4-hydroxyquinolineC10H9NO
   992 2-Methyl-8-quinolinolC10H9NO
   993 3-Methyl-5-phenyl isoxazoleC10H9NO
   994 4-Methyl-2-hydroxyquinolineC10H9NO
   995 5-Methyl-3-phenyl isoxazoleC10H9NO
   996 beta-CyanopropiophenoneC10H9NO
   997 2,4,6-Trimethylbenzonitrile, N-oxideC10H11NO
   998 2-(Dimethylamino)-acetophenoneC10H13NO


ΔHf: -20.6 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
N,N-Dimethyl benzamide
 H=-20.6 HR=NIST
  C    -0.01650082 +1  -0.00758964 +1   0.02290842 +1
  C     0.95866223 +1   0.02424064 +1   1.01910284 +1
  C     1.71042599 +1   1.17977023 +1   1.22176917 +1
  C     1.48058451 +1   2.29523943 +1   0.41853241 +1
  C     0.49956766 +1   2.27570260 +1  -0.57040306 +1
  C    -0.24895679 +1   1.11684636 +1  -0.76791359 +1
  C     2.25619129 +1   3.54406323 +1   0.66819538 +1
  O     1.88830489 +1   4.39290242 +1   1.45832630 +1
  N     3.42680435 +1   3.70538297 +1  -0.03595691 +1
  C     3.90298666 +1   2.71593572 +1  -0.99855963 +1
  C     4.25996929 +1   4.88678257 +1   0.17688637 +1
  H    -0.60292800 +1  -0.91110625 +1  -0.13295770 +1
  H     1.12920176 +1  -0.85086706 +1   1.64345427 +1
  H     2.46330179 +1   1.21693372 +1   2.00842595 +1
  H     0.31203445 +1   3.16209107 +1  -1.17492220 +1
  H    -1.01935110 +1   1.09300146 +1  -1.53629208 +1
  H     4.05347206 +1   1.73342818 +1  -0.51476045 +1
  H     3.17586687 +1   2.58627566 +1  -1.82106211 +1
  H     4.86359968 +1   3.02360917 +1  -1.44337830 +1
  H     4.37394462 +1   5.45952929 +1  -0.75914247 +1
  H     3.79610483 +1   5.55836603 +1   0.92965707 +1
  H     5.25715540 +1   4.60070202 +1   0.55207736 +1