Geometry & MOs

Info

ID:	18920
PubChem CID:	551008
Reduced:	OCl2N2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	286.063968
ΔH_f, kcal/mol:	-27.14
Dipole, Da:	3.86
IP(EA), eV:	-8.63(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dichlorophenyl)-2-(4-methylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(=O)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations