3-Nitro-1H-Benzo[E]Pyrene-1,12D-Diide

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Properties Simple | Detailed

Formula C20H13NO2
IUPAC Name 3-nitro-1h-benzo[e]pyrene-1,12d-diide
Molecular Mass 299.323 g·mol−1
Heat of Formation 312.1 ± 16.7 kJ·mol−1
Dipole Moment 6.22 ± 1.08 D
Volume 323.32 Å 3
Surface Area 286.37 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy 1.14 ± eV
Point Group Symmetry Cs
InChIKey VGSVCFPKSKTXLB-UHFFFAOYSA-N
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