1-Methyl-N-{2-[(2R)-4-Methyl-2-Pentanyl]-3-Thienyl}-3-(Trifluoromethyl)-1H-Pyrazole-4-Carboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C16H20F3N3OS
IUPAC Name n-[2-[(1r)-1,3-dimethylbutyl]-3-thienyl]-1-methyl-3-(trifluoromethyl)pyrazol-1-ium-2-ide-4-carboxamide
Molecular Mass 359.410 g·mol−1
Heat of Formation -645.8 ± 16.7 kJ·mol−1
Dipole Moment 8.75 ± 1.08 D
Volume 412.22 Å 3
Surface Area 351.78 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
InChIKey PFFIDZXUXFLSSR-SNVBAGLBSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H O N S