Geometry & MOs

Info

ID:	374263
PubChem CID:	131325965
Reduced:	FNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	249.007134
ΔH_f, kcal/mol:	-95.71
Dipole, Da:	3.84
IP(EA), eV:	-9.35(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-7-(trifluoromethoxy)-1-benzothiophen-2-ol

Drug info:

PubChemData

Smile

CC(C)(CC1=C(C(=C(C=C1)F)OC)O)C#N

DOS

IR

Vibrations