N-(4-Piperidylmethyl)-3-[3-(Trifluoromethoxy)Phenyl]Triazolo[4,5-B]Pyridin-5-Amine

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Formula C18H19F3N6O
IUPAC Name n-(4-piperidylmethyl)-7-[3-(trifluoromethoxy)phenyl]-5,9-diaza-7-azonia-8-azanidabicyclo[4.3.0]nona-1(9),2,4,6-tetraen-4-amine
Molecular Mass 392.378 g·mol−1
Heat of Formation -353.3 ± 16.7 kJ·mol−1
Dipole Moment 9.54 ± 1.08 D
Volume 429.51 Å 3
Surface Area 387.83 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
InChIKey OZAALIWIRMBCOR-UHFFFAOYSA-N
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