7-Nitro-1,3,5-Triazaadamantane

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Properties Simple | Detailed

Formula C7H12N4O2
IUPAC Name 7-nitro-1,3,5-triazaadamantane
Molecular Mass 184.196 g·mol−1
Heat of Formation 61.4 ± 16.7 kJ·mol−1
Dipole Moment 2.68 ± 1.08 D
Volume 203.58 Å 3
Surface Area 183.23 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy 2.68 ± eV
Point Group Symmetry Cs
Synonyms
  • 7-nitro-1,3,5-triaza-tricyclo[3.3.1.1*3,7*]decane
  • bas 00381731
  • oprea1_278817
  • oprea1_771237
InChIKey LPPLVTOEOMJNPS-UHFFFAOYSA-N
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