Geometry & MOs

Info

ID:	397087
PubChem CID:	135029708
Reduced:	NOH11C15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	252.95608
ΔH_f, kcal/mol:	34.82
Dipole, Da:	4.96
IP(EA), eV:	-9.08(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-8-methylquinoline-6-thiol

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)C3=C(O2)C=CC(=C3)C#N)C

DOS

IR

Vibrations