Geometry & MOs

Info

ID:	348961
PubChem CID:	127274687
Reduced:	SO3N4C17H28 (1)
Stoich.:	AB3C4D17E28 (1)
Weight, g/mol:	397.272927
ΔH_f, kcal/mol:	-116.1
Dipole, Da:	6.02
IP(EA), eV:	-8.93(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-N-benzylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)N1CSCC1C(=O)N2CCN(CC2)CC(=O)NC3CC3

DOS

IR

Vibrations