Formula |
C15H11N7O |
IUPAC Name |
n-[3-(2,3-diaza-1-azonia-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]-4h-indazol-2-ium-4-ide-5-carboxamide |
Molecular Mass |
305.294 g·mol−1 |
Heat of Formation |
545.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
10.24 ± 1.08 D |
Volume |
334.84 Å 3 |
Surface Area |
315.95 Å 2 |
HOMO Energy |
-9.23 ± 0.55 eV |
LUMO Energy |
-1.35 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
UWMWXBXKWPTZOO-UHFFFAOYSA-N |
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Elements |
H
C
O
N
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