Geometry & MOs

Info

ID:	77221
PubChem CID:	48425941
Reduced:	SN3O3C19H25 (1)
Stoich.:	AB3C3D19E25 (1)
Weight, g/mol:	382.16166
ΔH_f, kcal/mol:	-76.49
Dipole, Da:	3.64
IP(EA), eV:	-8.92(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=CC=CC=C1SCC2=C(ON=C2C)C

DOS

IR

Vibrations