N-[4-[[3-Butyl-1-[(2-Fluorophenyl)Methyl]-2,6-Dioxo-7H-Purin-9-Ium-5-Id-8-Yl]Methyl]Phenyl]Acetamide

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Formula C25H27FN5O3
IUPAC Name n-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7h-purin-9-ium-5-id-8-yl]methyl]phenyl]acetamide
Molecular Mass 464.512 g·mol−1
Heat of Formation -484.7 ± 16.7 kJ·mol−1
Dipole Moment 7.57 ± 1.08 D
Volume 539.99 Å 3
Surface Area 473.78 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 2.62 ± eV
Point Group Symmetry C1
InChIKey WVVZXGBHBHYOQH-UHFFFAOYSA-P
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