Formula |
C18H17N5O2 |
IUPAC Name |
n-(3,4-dimethoxyphenyl)-2-(3h-pyrazol-2-ium-3-ylium-4-yl)-7h-pyrrolo[3,2-c]pyridin-1-ium-7-id-6-amine |
Molecular Mass |
335.360 g·mol−1 |
Heat of Formation |
211.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.66 ± 1.08 D |
Volume |
382.2 Å 3 |
Surface Area |
357.94 Å 2 |
HOMO Energy |
-7.68 ± 0.55 eV |
LUMO Energy |
-0.82 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
UIEXDKQSWATHMD-UHFFFAOYSA-N |
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Elements |
H
C
O
N
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