Accuracy

dinitromethane   1416 Dinitromethane

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    #  Species Formula
  1406 Dimethyl naphthalene-2,6-dicarboxylateC14H12O4
  1407 Li(I)2(Cp)2O4 (DANPOX) (Geo)C16H26Li2O4
  1408 Li(I)2(Cp)2O4 (DANPOX)C16H26Li2O4
  1409 p-Diacetylbenzene diethyl ketalC18H30O4
  1410 Aspartic acidC4H7NO4
  1411 Glutamic acidC5H9NO4
  1412 4-NitrocatecholC6H5NO4
  1413 p-Nitrobenzoic acidC7H5NO4
  1414 Dinitrogen tetroxideN2O4
  1415 Dinitrogen tetroxide (Geo)N2O4
  1416 Dinitromethane CH2N2O4
  1417 m-DinitrobenzeneC6H4N2O4
  1418 o-DinitrobenzeneC6H4N2O4
  1419 p-DinitrobenzeneC6H4N2O4
  1420 2,4-DinitrotolueneC7H6N2O4
  1421 DinitrophenylmethaneC7H6N2O4
  1422 N,N'-Bis(m-methoxyphenyl) terephthalamideC22H20N2O4
  1423 N,N'-Bis(o-methoxyphenyl) terephthalamideC22H20N2O4
  1424 N,N'-Bis(p-methoxyphenyl) terephthalamideC22H20N2O4
  1425 MethyldinitramineCH3N3O4
  1426 LiHCO3.2H2OH5LiCO5


ΔHf: -13.3 kcal/mol,     REF: B. I. Istomin, V. Palm, Reakts. Sposobnosi Org. Soedin., 10, 583 (1973).
  
 PM7
Dinitromethane
 H=-13.3 HR=IP1973 S=85.59 CP=20.65
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     1.50411848 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.50307634 +1  110.9194863 +1    0.0000000 +0     1     2     0
  H     1.12121396 +1  108.8930410 +1 -121.1722229 +1     1     2     3
  H     1.12142468 +1  109.9566388 +1  120.4889343 +1     1     2     3
  O     1.21239343 +1  116.0719770 +1 -134.1437708 +1     2     1     3
  O     1.21010692 +1  117.2378864 +1   47.8290356 +1     2     1     3
  O     1.21026184 +1  117.2907388 +1   47.0360887 +1     3     1     2
  O     1.21266855 +1  116.0815750 +1 -134.9939556 +1     3     1     2