[Amino-[6-Fluoro-2-[5-[(1S,2S)-2-Methylcyclohexoxy]-6-Oxo-Cyclohexa-2,4-Dien-1-Yl]-1H-Benzimidazol-3-Ium-7A-Id-5-Yl]Methylene]Ammonium

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Properties Simple | Detailed

Formula C21H25FN4O2
IUPAC Name [amino-[6-fluoro-2-[5-[(1s,2s)-2-methylcyclohexoxy]-6-oxo-cyclohexa-2,4-dien-1-yl]-1h-benzimidazol-3-ium-7a-id-5-yl]methylene]ammonium
Molecular Mass 384.447 g·mol−1
Heat of Formation -106.4 ± 16.7 kJ·mol−1
Dipole Moment 19.40 ± 1.08 D
Volume 446.16 Å 3
Surface Area 395.01 Å 2
HOMO Energy -6.49 ± 0.55 eV
LUMO Energy -2.27 ± eV
Point Group Symmetry C1
InChIKey FSLDKSYSWCKXRI-GTNSWQLSSA-N
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