Geometry & MOs

Info

ID:	373651
PubChem CID:	131318289
Reduced:	ON2F3H7C9 (1)
Stoich.:	AB2C3D7E9 (1)
Weight, g/mol:	224.030729
ΔH_f, kcal/mol:	-144.17
Dipole, Da:	4.02
IP(EA), eV:	-9.07(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-5-fluoro-1-benzothiophene-2-carbaldehyde

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1N)F)OC(F)F)CC#N

DOS

IR

Vibrations