1-{2-Fluoro-4-[3-(Trifluoromethyl)-4,5,6,7-Tetrahydro-1H-Indazol-1-Yl]Benzyl}-2-Pyrrolidinone

Molecule SVG Image

Properties Simple | Detailed

Formula C19H19F4N3O
IUPAC Name 1-[[2-fluoro-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-ium-2-id-1-yl]phenyl]methyl]pyrrolidin-2-one
Molecular Mass 381.367 g·mol−1
Heat of Formation -798.5 ± 16.7 kJ·mol−1
Dipole Moment 1.38 ± 1.08 D
Volume 417.46 Å 3
Surface Area 361.7 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy 1.89 ± eV
Point Group Symmetry C1
InChIKey FMFRNCRYWTXTOL-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F