Geometry & MOs

Info

ID:	23693
PubChem CID:	605403
Reduced:	SN2C10H10 (1)
Stoich.:	AB2C10D10 (1)
Weight, g/mol:	190.05647
ΔH_f, kcal/mol:	42.96
Dipole, Da:	1.19
IP(EA), eV:	-8.33(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-aminoquinolin-6-yl)methanethiol

Drug info:

PubChemData

Smile

C1=CC2=CC(=CC(=C2N=C1)N)CS

DOS

IR

Vibrations