Geometry & MOs

Info

ID:	24222
PubChem CID:	608480
Reduced:	ClN2O3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	402.17102
ΔH_f, kcal/mol:	-80.37
Dipole, Da:	1.4
IP(EA), eV:	-8.91(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)COCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations