Geometry & MOs

Info

ID:	62372
PubChem CID:	26719645
Reduced:	OCl2F3N5H14C17 (1)
Stoich.:	AB2C3D5E14F17 (1)
Weight, g/mol:	359.059217
ΔH_f, kcal/mol:	-124.0
Dipole, Da:	5.0
IP(EA), eV:	-9.34(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dichlorophenyl)-3-(1-phenylpyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=NC(=NN12)C(F)(F)F)C)CCC(=O)NC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations