Geometry & MOs

Info

ID:	175206
PubChem CID:	75866505
Reduced:	ClN2O3C21H29 (1)
Stoich.:	AB2C3D21E29 (1)
Weight, g/mol:	420.100748
ΔH_f, kcal/mol:	-137.54
Dipole, Da:	3.8
IP(EA), eV:	-8.85(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C(C1=CC=CC=C1Cl)N2CCN(CC2)C(=O)CC3CCCCC3

DOS

IR

Vibrations