1-Nitro-3-Nitrosopyrene

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Properties Simple | Detailed

Formula C16H8N2O3
IUPAC Name 1-nitro-3-nitrosopyrene
Molecular Mass 276.246 g·mol−1
Heat of Formation 2421.6 ± 16.7 kJ·mol−1
Dipole Moment 2.84 ± 1.08 D
Volume 282.38 Å 3
Surface Area 256.46 Å 2
HOMO Energy -10.04 ± 0.55 eV
LUMO Energy -3.91 ± eV
Point Group Symmetry C1
Synonyms
  • 1-nitro-3-nitroso-pyrene
  • 1-nitro-3-nitrosopyrene
  • pyrene, 1-nitro-3-nitroso-
CAS Number(s)
  • 144886-19-1
InChIKey ORRRIEPKBDVTQB-UHFFFAOYSA-N
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