1,3-Dimethyl-7-[(1R)-3-Oxo-1H-Isobenzofuran-1-Yl]Purin-9-Ium-5-Ide-2,6-Dione

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Formula C15H13N4O4
IUPAC Name 1,3-dimethyl-7-[(1r)-3-oxo-1h-isobenzofuran-1-yl]purin-9-ium-5-ide-2,6-dione
Molecular Mass 313.288 g·mol−1
Heat of Formation -350.3 ± 16.7 kJ·mol−1
Dipole Moment 3.99 ± 1.08 D
Volume 334.41 Å 3
Surface Area 296.5 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 1.70 ± eV
Point Group Symmetry C1
InChIKey AXYVVUCRKCBYOH-GCZXYKMCSA-P
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