6-Butyl-4-Methyl-7-(O-Tolyl)Purino[7,8-A]Imidazole-5,6,9-Triium-9A-Ide-1,3-Dione

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Formula C19H22N5O2
IUPAC Name 6-butyl-4-methyl-7-(o-tolyl)purino[7,8-a]imidazole-5,6,9-triium-9a-ide-1,3-dione
Molecular Mass 352.410 g·mol−1
Heat of Formation -59.0 ± 16.7 kJ·mol−1
Dipole Moment 7.89 ± 1.08 D
Volume 417.57 Å 3
Surface Area 359.98 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
InChIKey DYSVXXVFNJZYQT-UHFFFAOYSA-P
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