Geometry & MOs

Info

ID:	129599
PubChem CID:	51073247
Reduced:	SN2O4C16H22 (1)
Stoich.:	AB2C4D16E22 (1)
Weight, g/mol:	344.184841
ΔH_f, kcal/mol:	-167.05
Dipole, Da:	5.66
IP(EA), eV:	-9.27(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-acetylpiperidin-4-yl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC=CC=C1C(=O)NC2CCN(CC2)C(=O)C

DOS

IR

Vibrations