Geometry & MOs

Info

ID:	8027
PubChem CID:	74764
Reduced:	ON2Cl3H25C26 (1)
Stoich.:	AB2C3D25E26 (1)
Weight, g/mol:	486.103247
ΔH_f, kcal/mol:	3.52
Dipole, Da:	5.18
IP(EA), eV:	-8.92(-0.44)
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

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

DOS

IR

Vibrations