Accuracy

dimethyl furazan   1016 Dimethyl furazan

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

    

    #  Species Formula
  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 ureaC2H6N2O
  1016 Dimethyl furazan C4H6N2O
  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
  1026 Oxygen, triplet state (Geo)O2


ΔHf: 25.6 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
Dimethyl furazan
 H=25.6 HR=NIST
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     1.36348524 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.32550936 +1  108.4007217 +1    0.0000000 +0     2     1     0
  C     1.48171869 +1  106.5144667 +1    0.0055222 +1     3     2     1
  N     1.36389113 +1  110.1498032 +1   -0.0083276 +1     1     2     3
  C     1.46909266 +1  126.4272582 +1 -179.9900280 +1     3     2     1
  C     1.46923612 +1  127.0031608 +1 -179.9669126 +1     4     3     2
  H     1.10288830 +1  111.6048165 +1  119.7854508 +1     6     3     2
  H     1.10523629 +1  112.0220353 +1   -0.0924647 +1     6     3     2
  H     1.10288353 +1  111.6171261 +1 -119.9878638 +1     6     3     2
  H     1.10523056 +1  112.0309929 +1 -179.8383852 +1     7     4     3
  H     1.10289303 +1  111.6000377 +1   60.2878978 +1     7     4     3
  H     1.10287385 +1  111.6184165 +1  -59.9389332 +1     7     4     3