Geometry & MOs

Info

ID:	284951
PubChem CID:	104085384
Reduced:	FNSO2C11H16 (1)
Stoich.:	ABCD2E11F16 (1)
Weight, g/mol:	234.082684
ΔH_f, kcal/mol:	-126.77
Dipole, Da:	2.24
IP(EA), eV:	-8.25(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-aminoquinolin-8-yl)sulfanylpropan-1-ol

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)SC(C)CO)N)F

DOS

IR

Vibrations