6-(3H-Pyridin-1-Ium-3-Id-4-Yl)-5-(Trifluoromethyl)Imidazo[4,5-B]Pyridin-4-Ium-6-Id-2-One

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Properties Simple | Detailed

Formula C12H9F3N4O
IUPAC Name 6-(3h-pyridin-1-ium-3-id-4-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-4-ium-6-id-2-one
Molecular Mass 282.221 g·mol−1
Heat of Formation -495.6 ± 16.7 kJ·mol−1
Dipole Moment 3.80 ± 1.08 D
Volume 283.67 Å 3
Surface Area 258.36 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy 1.59 ± eV
Point Group Symmetry Cs
InChIKey VJEAZRCTMBKMMK-UHFFFAOYSA-O
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Elements H C N O F