[Amino-[2-[5-(2-Fluorophenyl)-6-Oxo-3-Vinyl-Cyclohexa-2,4-Dien-1-Yl]-1,6-Dihydrobenzimidazol-3-Ium-6-Id-5-Yl]Methylene]Ammonium; Carbon Dioxide

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Properties Simple | Detailed

Formula C24H17FN4O5
IUPAC Name [amino-[2-[5-(2-fluorophenyl)-6-oxo-3-vinyl-cyclohexa-2,4-dien-1-yl]-1,6-dihydrobenzimidazol-3-ium-6-id-5-yl]methylene]ammonium; carbon dioxide
Molecular Mass 460.414 g·mol−1
Heat of Formation -526.7 ± 16.7 kJ·mol−1
Dipole Moment 23.36 ± 1.08 D
Volume 529.18 Å 3
Surface Area 427.8 Å 2
HOMO Energy -7.03 ± 0.55 eV
LUMO Energy -2.12 ± eV
Point Group Symmetry C1
InChIKey DQSYMURIWFKFOA-CQSZACIVSA-N
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