1,3-Dinitrosohexahydropyrimidine

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Properties Simple | Detailed

Formula C4H8N4O2
IUPAC Name 1,3-dinitrosohexahydropyrimidine
Molecular Mass 144.132 g·mol−1
Heat of Formation 68.7 ± 16.7 kJ·mol−1
Dipole Moment 5.56 ± 1.08 D
Volume 163.96 Å 3
Surface Area 162.23 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 2.95 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,3-dinitroso-1,3-diazinane
  • di(n-nitroso)-perhydropyrimidine
  • hexahydro-1,3-dinitrosopyrimidine
  • n,n'-dinitrosohexahydropyrimidine
  • pyrimidine, 1,3-dinitrosohexahydro-
  • pyrimidine, hexahydro-1,3-dinitroso- (8ci,9ci)
CAS Number(s)
  • 15973-99-6
InChIKey JSPJZBZNGPDBLH-UHFFFAOYSA-N
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