Geometry & MOs

Info

ID:	9996
PubChem CID:	96028
Reduced:	NSH7C9 (1)
Stoich.:	ABC7D9 (1)
Weight, g/mol:	161.02992
ΔH_f, kcal/mol:	48.91
Dipole, Da:	3.22
IP(EA), eV:	-8.49(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

quinoline-8-thiol

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)S)N=CC=C2

DOS

IR

Vibrations