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

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Formula C18H21N4O4
IUPAC Name 4-(2,6-dioxo-1,3-dipropyl-7h-purin-9-ium-5-id-8-yl)benzoic acid
Molecular Mass 357.384 g·mol−1
Heat of Formation -554.5 ± 16.7 kJ·mol−1
Dipole Moment 2.13 ± 1.08 D
Volume 416.39 Å 3
Surface Area 374.18 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 1.46 ± eV
Point Group Symmetry C1
InChIKey QUKSEEAAZFKQOR-UHFFFAOYSA-P
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