Geometry & MOs

Info

ID:	204867
PubChem CID:	80023300
Reduced:	SO3C15H22 (1)
Stoich.:	AB3C15D22 (1)
Weight, g/mol:	293.14495
ΔH_f, kcal/mol:	-111.89
Dipole, Da:	2.13
IP(EA), eV:	-8.51(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3,3-dimethyl-2-(sulfanylmethyl)butoxy]-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1OCC2(CCOCC2)CS

DOS

IR

Vibrations