1,8-Dimethyl-3-Phenyl-7H-Purin-9-Ium-5-Ide-2,6-Dione

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Properties Simple | Detailed

Formula C13H13N4O2
IUPAC Name 1,8-dimethyl-3-phenyl-7h-purin-9-ium-5-ide-2,6-dione
Molecular Mass 257.268 g·mol−1
Heat of Formation -88.9 ± 16.7 kJ·mol−1
Dipole Moment 4.09 ± 1.08 D
Volume 286.1 Å 3
Surface Area 267.61 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
InChIKey CHCBJTFZDYTUQG-UHFFFAOYSA-P
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