Geometry & MOs

Info

ID:	14222
PubChem CID:	406774
Reduced:	OCl2N2H18C19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	360.079619
ΔH_f, kcal/mol:	11.53
Dipole, Da:	4.65
IP(EA), eV:	-8.82(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1C=CC(=O)C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations