6H-Purin-6-One, 2-Amino-1,7-Dihydro-7-(7,8,9,10-Tetrahydro-7,8,9-Trihydroxybenzo[A]Pyren-10-Yl)-

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Formula C25H20N5O4
IUPAC Name 2-amino-7-[(7r,8r,9r,10r)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl]-3h-purine-1,9-diium-5-id-6-one
Molecular Mass 454.457 g·mol−1
Heat of Formation -208.7 ± 16.7 kJ·mol−1
Dipole Moment 5.11 ± 1.08 D
Volume 484.59 Å 3
Surface Area 397.51 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy 1.51 ± eV
Point Group Symmetry C1
InChIKey OKBCWCVUBZATIB-PSWRPDDJSA-N
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