2,8-Diamino-9-Benzyl-3H-Purine-1,7-Diium-4-Id-6-One

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Formula C12H13N6O
IUPAC Name 2,8-diamino-9-benzyl-3h-purine-1,7-diium-4-id-6-one
Molecular Mass 257.271 g·mol−1
Heat of Formation 248.9 ± 16.7 kJ·mol−1
Dipole Moment 10.10 ± 1.08 D
Volume 292.31 Å 3
Surface Area 266.98 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 2.52 ± eV
Point Group Symmetry C1
InChIKey UACRSLVUZQQJQX-UHFFFAOYSA-P
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