6-Butyl-4-Methyl-7-(5-Methylindazol-1-Ium-3A-Id-4-Yl)Purino[7,8-A]Imidazole-5,6,9-Triium-9A-Ide-1,3-Dione

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Properties Simple | Detailed

Formula C20H22N7O2
IUPAC Name 6-butyl-4-methyl-7-(5-methylindazol-1-ium-3a-id-4-yl)purino[7,8-a]imidazole-5,6,9-triium-9a-ide-1,3-dione
Molecular Mass 392.434 g·mol−1
Heat of Formation 109.3 ± 16.7 kJ·mol−1
Dipole Moment 9.09 ± 1.08 D
Volume 454.96 Å 3
Surface Area 380.84 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 1.97 ± eV
Point Group Symmetry C1
InChIKey AUCAKMUZWPBRBD-UHFFFAOYSA-P
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