2-Amino-7-Benzo[B]Pyren-6-Yl-3H-Purine-1,9-Diium-5-Id-6-One

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Formula C25H16N5O
IUPAC Name 2-amino-7-benzo[b]pyren-6-yl-3h-purine-1,9-diium-5-id-6-one
Molecular Mass 402.427 g·mol−1
Heat of Formation 478.0 ± 16.7 kJ·mol−1
Dipole Moment 2.69 ± 1.08 D
Volume 441.59 Å 3
Surface Area 371.64 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 0.38 ± eV
Point Group Symmetry C1
InChIKey HIAJYEKMEZGDAK-UHFFFAOYSA-O
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