Geometry & MOs

Info

ID:	7220
PubChem CID:	71612
Reduced:	Cl2N2O2C21H28 (1)
Stoich.:	A2B2C2D21E28 (1)
Weight, g/mol:	410.152783
ΔH_f, kcal/mol:	-84.92
Dipole, Da:	5.89
IP(EA), eV:	-9.35(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol;hydrochloride

Drug info:

PubChemData

Smile

C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl

DOS

IR

Vibrations