3-[1-(4-Chlorophenyl)Cyclopropyl]-8-(2-Fluorophenoxy)[1,2,4]Triazolo[4,3-A]Pyridine

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Formula C21H16ClFN3O+
IUPAC Name 3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-fluorophenoxy)-2h-[1,2,4]triazolo[4,3-a]pyridin-4-ium
Molecular Mass 380.823 g·mol−1
Heat of Formation 240.6 ± 16.7 kJ·mol−1
Dipole Moment 2.67 ± 1.08 D
Volume 422.14 Å 3
Surface Area 361.51 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
InChIKey OUNKWLWWQCCPIP-UHFFFAOYSA-O
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Elements C Cl H F O N