Geometry & MOs

Info

ID:	196733
PubChem CID:	78871024
Reduced:	IO2N3C18H28 (1)
Stoich.:	AB2C3D18E28 (1)
Weight, g/mol:	416.278741
ΔH_f, kcal/mol:	-54.05
Dipole, Da:	2.54
IP(EA), eV:	-8.49(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethoxyphenyl)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(CNC(=O)COC1=CC=C(C=C1)I)N2CCN(CC2)C

DOS

IR

Vibrations