3-{6-[2-(2,4-Difluorophenyl)Ethyl][1,2,4]Triazolo[4,3-A]Pyridin-3-Yl}-4-Methylbenzamide

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Formula C22H19F2N4O+
IUPAC Name 3-[3-[2-(2,4-difluorophenyl)ethyl]-8-aza-1-azonia-7-azanidabicyclo[4.3.0]nona-1(6),2,4,8-tetraen-9-yl]-4-methyl-benzamide
Molecular Mass 393.409 g·mol−1
Heat of Formation -137.4 ± 16.7 kJ·mol−1
Dipole Moment 2.21 ± 1.08 D
Volume 456.82 Å 3
Surface Area 391.6 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 2.05 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[6-[2-(2,4-difluorophenyl)ethyl]-[1,2,4]triazolo[4,5-a]pyridin-3-yl]-4-methyl-benzamide
InChIKey IECIDZDLEJWPAN-UHFFFAOYSA-N
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