3-(Cyclopropylmethyl)-7-(4-Phenyl-1-Piperidinyl)-8-(Trifluoromethyl)[1,2,4]Triazolo[4,3-A]Pyridine

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Formula C22H23F3N4
IUPAC Name 3-(cyclopropylmethyl)-7-(4-phenyl-1-piperidyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
Molecular Mass 400.440 g·mol−1
Heat of Formation -201.9 ± 16.7 kJ·mol−1
Dipole Moment 10.01 ± 1.08 D
Volume 460.93 Å 3
Surface Area 389.97 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -1.37 ± eV
Point Group Symmetry C1
InChIKey BQAVZGJJQFJSMW-UHFFFAOYSA-N
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Elements H C N F