Geometry & MOs

Info

ID:	1006
PubChem CID:	3658
Reduced:	ClN2O2C21H27 (1)
Stoich.:	AB2C2D21E27 (1)
Weight, g/mol:	374.176106
ΔH_f, kcal/mol:	-44.55
Dipole, Da:	2.27
IP(EA), eV:	-8.9(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations