2-Amino-3-Benzoyl-6-(2,6-Difluorobenzoyl)-1H-Imidazo[1,2-A]Pyridin-4-Ium

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Properties Simple | Detailed

Formula C21H14F2N3O2+
IUPAC Name [2-amino-6-(2,6-difluorobenzoyl)-7,8-dihydro-5h-imidazo[1,2-a]pyridin-1-ium-3,5,6,7,8-pentaid-3-yl]-phenyl-methanone
Molecular Mass 378.352 g·mol−1
Heat of Formation -224.0 ± 16.7 kJ·mol−1
Dipole Moment 4.38 ± 1.08 D
Volume 412.36 Å 3
Surface Area 360.44 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • [2-amino-6-(2,6-difluorobenzoyl)-1h-imidazo[3,2-a]pyridin-4-ium-3-yl]-phenyl-methanone
  • [2-amino-6-(2,6-difluorophenyl)carbonyl-1h-imidazo[3,2-a]pyridin-4-ium-3-yl]-phenyl-methanone
  • [2-amino-6-[(2,6-difluorophenyl)-oxomethyl]-1h-imidazo[3,2-a]pyridin-4-ium-3-yl]-phenylmethanone
InChIKey UOJOWKKCJSDLLU-UHFFFAOYSA-O
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