Geometry & MOs

Info

ID:	374320
PubChem CID:	131326704
Reduced:	ON4C10H14 (1)
Stoich.:	AB4C10D14 (1)
Weight, g/mol:	226.009993
ΔH_f, kcal/mol:	42.23
Dipole, Da:	2.72
IP(EA), eV:	-9.07(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-3-methoxy-1-benzothiophene-5-carboxylic acid

Drug info:

PubChemData

Smile

C1CCNC(C1)CC2=NOC(=N2)CC#N

DOS

IR

Vibrations