N,N-Dimethyl-4-[3-(Trifluoromethyl)-4,5,6,7-Tetrahydroindazol-1-Yl]Benzamide

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Properties Simple | Detailed

Formula C17H18F3N3O
IUPAC Name n,n-dimethyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-ium-2-id-1-yl]benzamide
Molecular Mass 337.340 g·mol−1
Heat of Formation -583.7 ± 16.7 kJ·mol−1
Dipole Moment 7.84 ± 1.08 D
Volume 381.4 Å 3
Surface Area 340.35 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy 1.96 ± eV
Point Group Symmetry C1
Synonyms
  • af-399/42289927
  • n,n-dimethyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]benzamide
InChIKey UDKLBQULCJTEOC-UHFFFAOYSA-N
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