[Amino-[2-(3-Fluoro-6-Oxo-Cyclohexa-2,4-Dien-1-Yl)-1,6-Dihydrobenzimidazol-3-Ium-6-Id-5-Yl]Methylene]Ammonium

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Properties Simple | Detailed

Formula C14H13FN4O
IUPAC Name [amino-[2-(3-fluoro-6-oxo-cyclohexa-2,4-dien-1-yl)-1,6-dihydrobenzimidazol-3-ium-6-id-5-yl]methylene]ammonium
Molecular Mass 272.278 g·mol−1
Heat of Formation 88.8 ± 16.7 kJ·mol−1
Dipole Moment 23.22 ± 1.08 D
Volume 296.29 Å 3
Surface Area 279.66 Å 2
HOMO Energy -7.03 ± 0.55 eV
LUMO Energy 1.92 ± eV
Point Group Symmetry C1
InChIKey QNZLLOSVWQYDFN-UHFFFAOYSA-N
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