Geometry & MOs

Info

ID:	202018
PubChem CID:	79619285
Reduced:	ON2C17H24 (1)
Stoich.:	AB2C17D24 (1)
Weight, g/mol:	292.134241
ΔH_f, kcal/mol:	-25.94
Dipole, Da:	3.29
IP(EA), eV:	-8.47(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CC(=O)C1)N2CCN(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations