Geometry & MOs

Info

ID:	233417
PubChem CID:	90271456
Reduced:	OCl2N3F4H11C18 (1)
Stoich.:	AB2C3D4E11F18 (1)
Weight, g/mol:	395.105703
ΔH_f, kcal/mol:	-173.79
Dipole, Da:	8.87
IP(EA), eV:	-8.87(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluoro-6-methylphenyl)-5-[2-fluoro-6-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(=O)NC2=C(C=C(C=C2)Cl)Cl)C3=C(C=CC=C3F)C(F)(F)F

DOS

IR

Vibrations