Geometry & MOs

Info

ID:	39677
PubChem CID:	8141846
Reduced:	ClN3O3C19H20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	385.155705
ΔH_f, kcal/mol:	-59.71
Dipole, Da:	2.16
IP(EA), eV:	-9.06(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC(=O)NC2=CC=CC=C2Cl)C(=O)/C=C/C3=CC=CO3

DOS

IR

Vibrations