Geometry & MOs

Info

ID:	8026
PubChem CID:	74763
Reduced:	ON2Cl4C26H26 (1)
Stoich.:	AB2C4D26E26 (1)
Weight, g/mol:	524.076974
ΔH_f, kcal/mol:	-31.29
Dipole, Da:	3.94
IP(EA), eV:	-8.98(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-tris(4-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-1-one;hydrochloride

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CC(C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl.Cl

DOS

IR

Vibrations