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

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Formula C7H9N4O2
IUPAC Name 1,3-dimethyl-7h-purin-9-ium-5-ide-2,6-dione
Molecular Mass 181.172 g·mol−1
Heat of Formation -183.9 ± 16.7 kJ·mol−1
Dipole Moment 2.97 ± 1.08 D
Volume 195.75 Å 3
Surface Area 191.56 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy 2.37 ± eV
Point Group Symmetry Cs
InChIKey UBNFVIOYSNCMBL-UHFFFAOYSA-P
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