2-{5-[Ammonio(Imino)Methyl]-6-Fluoro-1H-Benzimidazol-2-Yl}-6-{[(1S,2S)-2-Methylcyclohexyl]Oxy}Phenolate
Properties
Property | Value |
---|---|
Formula | C21H23FN4O2 |
IUPAC Name | 6-fluoro-2-[2-hydroxy-3-[(1s,2r)-2-methylcyclohexoxy]phenyl]-1h-benzimidazole-5-carboxamidine |
Molecular Mass | 382.431 g·mol−1 |
Heat of Formation | 2867.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.49 ± 1.08 D |
Volume | 387.18 Å 3 |
Surface Area | 349.17 Å 2 |
HOMO Energy | -9.65 ± 0.55 eV |
LUMO Energy | -1.68 ± eV |
Point Group Symmetry | C1 |
InChIKey | CMCDWLMEDRBWIR-GTNSWQLSSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O F |