7-[(2R,3S)-2-Hydroxy-4-Phenyl-3-Piperazin-1-Yl-Butyl]-1,3-Dimethyl-Purin-9-Ium-5-Ide-2,6-Dione

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Formula C21H29N6O3
IUPAC Name 7-[(2r,3s)-2-hydroxy-4-phenyl-3-piperazin-1-yl-butyl]-1,3-dimethyl-purin-9-ium-5-ide-2,6-dione
Molecular Mass 413.493 g·mol−1
Heat of Formation -278.9 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 493.17 Å 3
Surface Area 403.2 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 2.72 ± eV
Point Group Symmetry C1
InChIKey RMPUOSDMGJOQBJ-FKAKGIQBSA-P
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