Geometry & MOs

Info

ID:	4040
PubChem CID:	10629
Reduced:	OSH6C8 (1)
Stoich.:	ABC6D8 (1)
Weight, g/mol:	150.013936
ΔH_f, kcal/mol:	0.23
Dipole, Da:	2.66
IP(EA), eV:	-8.43(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzothiophen-3-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CS2)O

DOS

IR

Vibrations