Geometry & MOs

Info

ID:	39680
PubChem CID:	8141860
Reduced:	ClO2N3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	393.105561
ΔH_f, kcal/mol:	-47.0
Dipole, Da:	3.84
IP(EA), eV:	-9.06(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3Cl

DOS

IR

Vibrations