(7S,8S)-3-Nitro-7,8-Dihydrobenzo[A]Pyrene-7,8-Diol

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Formula C20H13NO4
IUPAC Name (7s,8s)-3-nitro-7,8-dihydrobenzo[a]pyrene-7,8-diol
Molecular Mass 331.322 g·mol−1
Heat of Formation -58.8 ± 16.7 kJ·mol−1
Dipole Moment 5.80 ± 1.08 D
Volume 356.93 Å 3
Surface Area 312.52 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 2.04 ± eV
Point Group Symmetry C1
InChIKey JHAZZHMGRQPOAO-PXNSSMCTSA-N
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