Geometry & MOs

Info

ID:	233428
PubChem CID:	90271505
Reduced:	O3N4H22C24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	406.085302
ΔH_f, kcal/mol:	-15.09
Dipole, Da:	8.47
IP(EA), eV:	-9.16(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1CCN2C(=NC(=O)C(=C2C1=O)O)CC3=CC=CC=C3C4=CC=C(C=C4)C#N

DOS

IR

Vibrations