Geometry & MOs

Info

ID:	174558
PubChem CID:	75784407
Reduced:	NSO6C26H29 (1)
Stoich.:	ABC6D26E29 (1)
Weight, g/mol:	346.144806
ΔH_f, kcal/mol:	-184.8
Dipole, Da:	3.8
IP(EA), eV:	-9.23(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)OC2=COC3C(C2=O)CCC4C3CN(CO4)CCC5=CC=CS5

DOS

IR

Vibrations