N-(4-Acetylphenyl)-2-[4-(2,6-Dioxo-1,3-Dipropyl-7H-Purin-9-Ium-5-Id-8-Yl)Phenoxy]Acetamide

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Formula C27H29N5O5
IUPAC Name n-(4-acetylphenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7h-purin-9-ium-5-id-8-yl)phenoxy]acetamide
Molecular Mass 503.550 g·mol−1
Heat of Formation -588.8 ± 16.7 kJ·mol−1
Dipole Moment 3.04 ± 1.08 D
Volume 591.92 Å 3
Surface Area 530.33 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
InChIKey GFOLGFKQEBHZAT-UHFFFAOYSA-P
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