Geometry & MOs

Info

ID:	373701
PubChem CID:	131318943
Reduced:	FO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	230.021307
ΔH_f, kcal/mol:	-177.76
Dipole, Da:	2.6
IP(EA), eV:	-8.9(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(difluoromethyl)-7-(hydroxymethyl)-1-benzothiophen-5-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1O)CC(=O)OC)C)F

DOS

IR

Vibrations