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

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Formula C26H27N6O4
IUPAC Name n-(4-cyanophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7h-purin-9-ium-5-id-8-yl)phenoxy]acetamide
Molecular Mass 487.530 g·mol−1
Heat of Formation -281.5 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 569.67 Å 3
Surface Area 516.01 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 1.86 ± eV
Point Group Symmetry C1
InChIKey BBGQEORWAJEGKZ-UHFFFAOYSA-P
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