3,6-Dinitrobenzo[A]Pyrene

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Formula C20H10N2O4
IUPAC Name 3,6-dinitrobenzo[a]pyrene
Molecular Mass 342.304 g·mol−1
Heat of Formation 333.0 ± 16.7 kJ·mol−1
Dipole Moment 8.18 ± 1.08 D
Volume 354.46 Å 3
Surface Area 310.11 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -2.56 ± eV
Point Group Symmetry C1
InChIKey OZTPKMPSFDAYGC-UHFFFAOYSA-N
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