1-(1-Pyrrolidinyl)-2-{4-[3-(Trifluoromethyl)-4,5,6,7-Tetrahydro-1H-Indazol-1-Yl]Phenyl}Ethanone

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Formula C20H22F3N3O
IUPAC Name 1-pyrrolidin-1-yl-2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-ium-2-id-1-yl]phenyl]ethanone
Molecular Mass 377.403 g·mol−1
Heat of Formation -615.6 ± 16.7 kJ·mol−1
Dipole Moment 10.44 ± 1.08 D
Volume 432.58 Å 3
Surface Area 383.04 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy 2.43 ± eV
Point Group Symmetry C1
InChIKey PGXLUSOTMSRODM-UHFFFAOYSA-N
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