8-[(E)-2-(3-Chlorophenyl)Vinyl]-1,3,7-Trimethyl-Purin-9-Ium-5-Ide-2,6-Dione

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Formula C16H16ClN4O2
IUPAC Name 8-[(e)-2-(3-chlorophenyl)vinyl]-1,3,7-trimethyl-purin-9-ium-5-ide-2,6-dione
Molecular Mass 331.777 g·mol−1
Heat of Formation -82.0 ± 16.7 kJ·mol−1
Dipole Moment 3.13 ± 1.08 D
Volume 369.4 Å 3
Surface Area 339.07 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 1.81 ± eV
Point Group Symmetry C1
InChIKey IAIYWAFAXUGSGP-BQYQJAHWSA-P
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Elements H C N O Cl