Formula |
C11H6ClFN4O2 |
IUPAC Name |
1-(5-chloro-6-fluoro-benzimidazol-1-ium-2-ylium-2-yl)-3h-pyrazol-1-ium-3-ylium-4-carboxylic acid |
Molecular Mass |
280.642 g·mol−1 |
Heat of Formation |
-137.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.70 ± 1.08 D |
Volume |
284.05 Å 3 |
Surface Area |
269.2 Å 2 |
HOMO Energy |
-9.60 ± 0.55 eV |
LUMO Energy |
1.39 ± eV |
Point Group Symmetry |
Cs
|
InChIKey |
VOINEICHGDKMIS-UHFFFAOYSA-N |
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Elements |
C
Cl
H
F
O
N
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