Geometry & MOs

Info

ID:	371639
PubChem CID:	131269467
Reduced:	OH4N6C7 (1)
Stoich.:	AB4C6D7 (1)
Weight, g/mol:	233.996235
ΔH_f, kcal/mol:	133.2
Dipole, Da:	2.86
IP(EA), eV:	-9.84(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(trifluoromethyl)-1-benzothiophene-5,6-diol

Drug info:

PubChemData

Smile

C1=CN=NC(=N1)C2=NOC(=C2C#N)N

DOS

IR

Vibrations