Geometry & MOs

Info

ID:	196732
PubChem CID:	78871023
Reduced:	ON2C12H20 (2)
Stoich.:	AB2C12D20 (2)
Weight, g/mol:	445.12262
ΔH_f, kcal/mol:	-106.03
Dipole, Da:	4.54
IP(EA), eV:	-8.38(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-iodophenoxy)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide

Drug info:

PubChemData

Smile

CC(C)C(CNC(=O)CCNC(=O)C1=CC=C(C=C1)C(C)(C)C)N2CCN(CC2)C

DOS

IR

Vibrations