Geometry & MOs

Info

ID:	372872
PubChem CID:	131306359
Reduced:	FOC4H4 (2)
Stoich.:	ABC4D4 (2)
Weight, g/mol:	237.009579
ΔH_f, kcal/mol:	-152.6
Dipole, Da:	1.82
IP(EA), eV:	-8.94(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(hydroxymethyl)-5-nitro-1-benzothiophene-4-carbaldehyde

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1O)F)F

DOS

IR

Vibrations