Geometry & MOs

Info

ID:	233423
PubChem CID:	90271493
Reduced:	O2N4F5H15C20 (1)
Stoich.:	A2B4C5D15E20 (1)
Weight, g/mol:	415.051081
ΔH_f, kcal/mol:	-215.49
Dipole, Da:	6.58
IP(EA), eV:	-9.62(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(=O)NC2=C(C=NC=C2F)F)C3=C(C=CC(=C3)OC(F)(F)F)C4CC4

DOS

IR

Vibrations