8-Chloro-1,3-Dimethyl-7H-Purin-9-Ium-5-Ide-2,6-Dione

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Formula C7H8ClN4O2
IUPAC Name 8-chloro-1,3-dimethyl-7h-purin-9-ium-5-ide-2,6-dione
Molecular Mass 215.617 g·mol−1
Heat of Formation -188.6 ± 16.7 kJ·mol−1
Dipole Moment 1.75 ± 1.08 D
Volume 220.31 Å 3
Surface Area 212.11 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 2.13 ± eV
Point Group Symmetry C1
InChIKey FPTLPODNRREEKB-UHFFFAOYSA-P
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