Geometry & MOs

Info

ID:	152942
PubChem CID:	56312038
Reduced:	ClO2N3C23H28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	477.09132
ΔH_f, kcal/mol:	-68.36
Dipole, Da:	3.99
IP(EA), eV:	-9.01(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-iodophenyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NCCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations