6-[4-(4-Fluorophenyl)-1,3-Oxazol-5-Yl]-3-Isopropyl-2H-[1,2,4]Triazolo[4,3-A]Pyridin-4-Ium

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Properties Simple | Detailed

Formula C18H16FN4O+
IUPAC Name 4-(4-fluorophenyl)-5-(3-isopropyl-7h-[1,2,4]triazolo[4,3-a]pyridin-4-ium-7-id-6-yl)oxazol-3-ium-5-ide
Molecular Mass 323.344 g·mol−1
Heat of Formation 149.5 ± 16.7 kJ·mol−1
Dipole Moment 5.22 ± 1.08 D
Volume 371.71 Å 3
Surface Area 331.47 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 2.54 ± eV
Point Group Symmetry C1
Synonyms
  • 6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-3-propan-2-yl-2h-[1,2,4]triazolo[4,3-a]pyridin-4-ium
  • 6-[4-(4-fluorophenyl)-5-oxazolyl]-3-isopropyl-2h-[1,2,4]triazolo[4,3-a]pyridin-4-ium
  • 6-[4-(4-fluorophenyl)oxazol-5-yl]-3-isopropyl-2h-[1,2,4]triazolo[4,3-a]pyridin-4-ium
InChIKey OVCXRBARSPBVMC-UHFFFAOYSA-O
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