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 |
379.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.53 ± 1.08 D |
Volume |
513.63 Å 3 |
Surface Area |
456.89 Å 2 |
HOMO Energy |
-8.73 ± 0.55 eV |
LUMO Energy |
-1.37 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
UNPSONVHRMUXFE-ZHACJKMWSA-N |
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Elements |
P
C
H
O
N
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