Geometry & MOs

Info

ID:	20349
PubChem CID:	583254
Reduced:	OCl2N2H16C17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	334.063968
ΔH_f, kcal/mol:	-1.58
Dipole, Da:	3.43
IP(EA), eV:	-8.75(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dichlorophenyl)-(4-phenylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations