Geometry & MOs

Info

ID:	374879
PubChem CID:	131349627
Reduced:	OF2N2C10H10 (1)
Stoich.:	AB2C2D10E10 (1)
Weight, g/mol:	291.9369
ΔH_f, kcal/mol:	-101.11
Dipole, Da:	4.92
IP(EA), eV:	-9.49(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(bromomethyl)-5-(difluoromethyl)-1-benzothiophen-7-ol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CC(C#N)N)C(F)F)O

DOS

IR

Vibrations