1,7-Dimethyl-3H-Purin-9-Ium-5-Ide-2,6-Dione

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Formula C7H9N4O2
IUPAC Name 1,7-dimethyl-3h-purin-9-ium-5-ide-2,6-dione
Molecular Mass 181.172 g·mol−1
Heat of Formation -191.2 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 197.16 Å 3
Surface Area 192.06 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy 2.42 ± eV
Point Group Symmetry C1
InChIKey UBOFMVNAIHRLQG-UHFFFAOYSA-P
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