4-(1,3-Dimethyl-2,6-Dioxo-7H-Purin-9-Ium-5-Id-8-Yl)Benzoic Acid

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Formula C14H13N4O4
IUPAC Name 4-(1,3-dimethyl-2,6-dioxo-7h-purin-9-ium-5-id-8-yl)benzoic acid
Molecular Mass 301.277 g·mol−1
Heat of Formation -450.2 ± 16.7 kJ·mol−1
Dipole Moment 2.27 ± 1.08 D
Volume 324.92 Å 3
Surface Area 302.32 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy 1.43 ± eV
Point Group Symmetry C1
InChIKey VJHZNUCLSIXJAW-UHFFFAOYSA-P
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