Geometry & MOs

Info

ID:	377
PubChem CID:	2678
Reduced:	ClN2O3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	388.15537
ΔH_f, kcal/mol:	-82.29
Dipole, Da:	5.13
IP(EA), eV:	-8.96(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations