N-(4-Dimethylphosphorylphenyl)-9-[(E)-2-(5-Methylindazol-1-Ium-7A-Ylium-4-Yl)Vinyl]Purine-1,3,7-Triium-6-Amine

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Formula C23H22N7OP
IUPAC Name n-(4-dimethylphosphorylphenyl)-9-[(e)-2-(5-methylindazol-1-ium-7a-ylium-4-yl)vinyl]purine-1,3,7-triium-6-amine
Molecular Mass 443.441 g·mol−1
Heat of Formation 379.2 ± 16.7 kJ·mol−1
Dipole Moment 5.91 ± 1.08 D
Volume 506.82 Å 3
Surface Area 451.52 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 1.91 ± eV
Point Group Symmetry C1
InChIKey FMWMMHQSQIRVAC-ZHACJKMWSA-O
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