Geometry & MOs

Info

ID:	347946
PubChem CID:	127273008
Reduced:	O2N4C21H38 (1)
Stoich.:	A2B4C21D38 (1)
Weight, g/mol:	359.232125
ΔH_f, kcal/mol:	-131.04
Dipole, Da:	6.1
IP(EA), eV:	-8.48(1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(4-methylpiperazin-1-yl)propyl]propanamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1CCC(CC1)NC(=O)C2CCCC2)N3CCN(CC3)C

DOS

IR

Vibrations