Geometry & MOs

Info

ID:	181763
PubChem CID:	76790100
Reduced:	SN2O4C24H32 (1)
Stoich.:	AB2C4D24E32 (1)
Weight, g/mol:	342.230728
ΔH_f, kcal/mol:	-144.93
Dipole, Da:	3.82
IP(EA), eV:	-10.06(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-(4-methylphenyl)-2-(5-oxopyrrolidin-2-yl)ethyl]-3-propylpiperidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(CC2CCC(=O)N2)C3CCC(C(=O)N3)C4CC4)S(=O)(=O)C5CC5

DOS

IR

Vibrations