Accuracy

n-methyl urea   1015 N-Methyl urea

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    #  Species Formula
  1005 PhenoxazineC12H9NO
  1006 2-(Diethylamino)-1-phenylethanoneC12H17NO
  1007 9,10-Dihydro-9-oxoacridineC13H9NO
  1008 Benzenamine, N-(phenylmethylene)-, N-oxideC13H11NO
  1009 1-Propanone, 2-(diethylamino)-1-phenyl-C13H19NO
  1010 N,N-Dimethyl-1-adamantylcarboxamideC13H21NO
  1011 4-Isopropylbenzylidene t-butylamine N-oxideC14H21NO
  1012 Nitrous oxide (Geo)N2O
  1013 Nitrous oxideN2O
  1014 UreaCH4N2O
  1015 N-Methyl urea C2H6N2O
  1016 Dimethyl furazanC4H6N2O
  1017 IsopropylureaC4H10N2O
  1018 5-Amino-3,4-dimethylisoxazoleC5H8N2O
  1019 (1-Methylpropyl) ureaC5H12N2O
  1020 N,N-diethylureaC5H12N2O
  1021 TetramethylureaC5H12N2O
  1022 CEB (Torsion angle) (Geo)C13H12N2O
  1023 1D88_B3P (Torsion angle) (Geo)C14H14N2O
  1024 4-Amino-2(1H)-pyrimidinoneC4H5N3O
  1025 2ME_B3P (Torsion angle) (Geo)C22H26N4O


ΔHf: -56.3 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-Methyl urea
 H=-56.329 HR=NIST
  N    -0.01634638 +1  -0.00176992 +1   0.02608797 +1
  C     1.37617579 +1  -0.02712943 +1  -0.14618429 +1
  N     1.98996806 +1   1.22929696 +1  -0.24513185 +1
  C     3.45738128 +1   1.23041974 +1  -0.16099992 +1
  O     1.98285088 +1  -1.07720001 +1  -0.22031333 +1
  H    -0.48930412 +1  -0.88479925 +1  -0.07074201 +1
  H    -0.55128794 +1   0.78930732 +1  -0.26517390 +1
  H     1.54125438 +1   2.02503998 +1   0.18675829 +1
  H     3.83771116 +1   2.17828906 +1  -0.57544741 +1
  H     3.87258171 +1   0.39709361 +1  -0.76366636 +1
  H     3.82579499 +1   1.10618808 +1   0.87107039 +1