3-Nitrobenzo[A]Pyrene

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Formula C20H11NO2
IUPAC Name 3-nitrobenzo[a]pyrene
Molecular Mass 297.307 g·mol−1
Heat of Formation 326.1 ± 16.7 kJ·mol−1
Dipole Moment 6.46 ± 1.08 D
Volume 324.29 Å 3
Surface Area 289.27 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -2.02 ± eV
Point Group Symmetry C1
InChIKey XFYXEUYWNKLLGN-UHFFFAOYSA-N
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