1,9-Dimethyl-3H-Purin-7-Ium-4-Ide-2,6-Dione

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Formula C7H9N4O2
IUPAC Name 1,9-dimethyl-3h-purin-7-ium-4-ide-2,6-dione
Molecular Mass 181.172 g·mol−1
Heat of Formation -161.9 ± 16.7 kJ·mol−1
Dipole Moment 7.22 ± 1.08 D
Volume 198.3 Å 3
Surface Area 194.62 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy 2.68 ± eV
Point Group Symmetry C1
InChIKey XMBDUSMQDPKLML-UHFFFAOYSA-Q
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