Geometry & MOs

Info

ID:	77199
PubChem CID:	48425917
Reduced:	FSN3O4C15H22 (1)
Stoich.:	ABC3D4E15F22 (1)
Weight, g/mol:	402.107038
ΔH_f, kcal/mol:	-203.92
Dipole, Da:	5.26
IP(EA), eV:	-9.58(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)[C@H](C)NS(=O)(=O)C1=CC=CC=C1F

DOS

IR

Vibrations