2-[[8-[(3R)-3-Amino-1-Piperidyl]-1,3-Dimethyl-2,6-Dioxo-Purin-9-Ium-5-Id-7-Yl]Methyl]Benzonitrile

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Formula C20H24N7O2
IUPAC Name 2-[[8-[(3r)-3-amino-1-piperidyl]-1,3-dimethyl-2,6-dioxo-purin-9-ium-5-id-7-yl]methyl]benzonitrile
Molecular Mass 394.450 g·mol−1
Heat of Formation 39.9 ± 16.7 kJ·mol−1
Dipole Moment 7.20 ± 1.08 D
Volume 464.42 Å 3
Surface Area 388.48 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
InChIKey LSURQWMHZRXKQA-FIXVGMIGSA-P
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