1-(5-Chloro-6-Fluoro-1H-Benzimidazol-2-Yl)-1H-Pyrazole-4-Carboxylic Acid

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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