Geometry & MOs

Info

ID:	130340
PubChem CID:	51075648
Reduced:	SO2N4H12C17 (1)
Stoich.:	AB2C4D12E17 (1)
Weight, g/mol:	342.194343
ΔH_f, kcal/mol:	53.52
Dipole, Da:	1.76
IP(EA), eV:	-9.26(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CN=C(C=C3)N4C=CC=N4

DOS

IR

Vibrations