Geometry & MOs

Info

ID:	373542
PubChem CID:	131316700
Reduced:	ClON3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	226.009993
ΔH_f, kcal/mol:	25.67
Dipole, Da:	2.27
IP(EA), eV:	-8.49(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-5-(hydroxymethyl)-1-benzothiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2C=C(C(=N2)N)Cl

DOS

IR

Vibrations