7-[2-[4-(2-Chlorophenyl)Piperazin-1-Yl]Ethyl]-1,3-Dimethyl-Purin-9-Ium-5-Ide-2,6-Dione

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Formula C19H24ClN6O2
IUPAC Name 7-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,3-dimethyl-purin-9-ium-5-ide-2,6-dione
Molecular Mass 403.886 g·mol−1
Heat of Formation -78.2 ± 16.7 kJ·mol−1
Dipole Moment 4.66 ± 1.08 D
Volume 460.0 Å 3
Surface Area 396.05 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
InChIKey QAPGBEUWBZCKRF-UHFFFAOYSA-P
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Elements H C N O Cl