Geometry & MOs

Info

ID:	152570
PubChem CID:	56311530
Reduced:	O2N3C24H29 (1)
Stoich.:	A2B3C24D29 (1)
Weight, g/mol:	477.09132
ΔH_f, kcal/mol:	-52.05
Dipole, Da:	6.5
IP(EA), eV:	-8.63(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)N3CCCC4=CC=CC=C43

DOS

IR

Vibrations