1,3,5-Trinitroso-1,3,5-Triazinane

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Formula C3H6N6O3
IUPAC Name 1,3,5-trinitroso-1,3,5-triazinane
Molecular Mass 174.118 g·mol−1
Heat of Formation 168.5 ± 16.7 kJ·mol−1
Dipole Moment 4.93 ± 1.08 D
Volume 182.98 Å 3
Surface Area 175.57 Å 2
HOMO Energy -10.02 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,5-triazine, hexahydro-1,3,5-trinitroso-
  • 1,3,5-trinitroso-1,3,5-triazacyclohexane
  • 1,3,5-trinitrosohexahydro-s-triazine
  • hexahydro-1,3,5-s-triazine
  • hexahydro-1,3,5-trinitroso-1,3,5-triazine
  • hexahydro-1,3,5-trinitroso-s-triazine
  • s-triazine, hexahydro-1,3,5-trinitroso-
  • trinitrosotrimethylenetriamine
  • ttt
CAS Number(s)
  • 13980-04-6
InChIKey HFWOSHMLDRSIDN-UHFFFAOYSA-N
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