Geometry & MOs

Info

ID:	346839
PubChem CID:	127271343
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	268.189926
ΔH_f, kcal/mol:	-82.51
Dipole, Da:	4.26
IP(EA), eV:	-9.09(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methyl-5-oxopyrrolidin-3-yl)-2-(4-methylpiperazin-1-yl)propanamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=CC=CC=C2O)C(=O)N3CCC(CC3)C4=NC=CN4

DOS

IR

Vibrations