Geometry & MOs

Info

ID:	373079
PubChem CID:	131309519
Reduced:	IO2F3H8C10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	222.035065
ΔH_f, kcal/mol:	-203.43
Dipole, Da:	5.08
IP(EA), eV:	-9.86(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(hydroxymethyl)-3-methoxy-1-benzothiophene-5-carbaldehyde

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1I)OC)C(F)(F)F

DOS

IR

Vibrations