Geometry & MOs

Info

ID:	372990
PubChem CID:	131308161
Reduced:	ClNO3H6C9 (1)
Stoich.:	ABC3D6E9 (1)
Weight, g/mol:	236.050715
ΔH_f, kcal/mol:	-60.78
Dipole, Da:	2.37
IP(EA), eV:	-10.08(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methoxy-7-methyl-1-benzothiophen-5-yl)acetic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=NC=CC(=C2O1)Cl

DOS

IR

Vibrations