Geometry & MOs

Info

ID:	347977
PubChem CID:	127273039
Reduced:	N3O3C20H31 (1)
Stoich.:	A3B3C20D31 (1)
Weight, g/mol:	358.236876
ΔH_f, kcal/mol:	-114.75
Dipole, Da:	3.94
IP(EA), eV:	-8.2(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylpiperazin-1-yl)propyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC(CNC(=O)COC1=CC=CC2=C1OC(C2)(C)C)N3CCN(CC3)C

DOS

IR

Vibrations