Geometry & MOs

Info

ID:	347949
PubChem CID:	127273011
Reduced:	ON6C19H30 (1)
Stoich.:	AB6C19D30 (1)
Weight, g/mol:	324.252526
ΔH_f, kcal/mol:	5.02
Dipole, Da:	3.79
IP(EA), eV:	-8.47(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN1C2=NC=C(C=C2C=N1)C(=O)NCC(C)N3CCN(CC3)C

DOS

IR

Vibrations