1-Nitro-8-Nitrosopyrene

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Properties Simple | Detailed

Formula C16H8N2O3
IUPAC Name 1-nitro-8-nitroso-pyrene
Molecular Mass 276.246 g·mol−1
Heat of Formation 332.9 ± 16.7 kJ·mol−1
Dipole Moment 6.60 ± 1.08 D
Volume 291.97 Å 3
Surface Area 264.07 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -2.66 ± eV
Point Group Symmetry C1
Synonyms
  • 1-nitroso-8-nitropyrene
  • pyrene, 1-nitro-8-nitroso-
CAS Number(s)
  • 100593-23-5
InChIKey PAJDGJYLNJGDDA-UHFFFAOYSA-N
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