Geometry & MOs

Info

ID:	374603
PubChem CID:	131341970
Reduced:	BrFNH9C10 (1)
Stoich.:	ABCD9E10 (1)
Weight, g/mol:	230.021307
ΔH_f, kcal/mol:	-3.99
Dipole, Da:	3.24
IP(EA), eV:	-9.78(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethoxy)-2-methyl-1-benzothiophen-5-ol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(CC#N)CF)Br

DOS

IR

Vibrations