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

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Formula C10H11N4O2
IUPAC Name 3,7-dimethyl-1-prop-2-ynyl-purin-9-ium-5-ide-2,6-dione
Molecular Mass 219.220 g·mol−1
Heat of Formation 65.1 ± 16.7 kJ·mol−1
Dipole Moment 3.89 ± 1.08 D
Volume 212.41 Å 3
Surface Area 195.67 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy 2.51 ± eV
Point Group Symmetry C1
InChIKey KQAUIBWSVSBOGG-UHFFFAOYSA-P
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