Geometry & MOs

Info

ID:	373999
PubChem CID:	131322179
Reduced:	ClN2O2C10H11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	236.050715
ΔH_f, kcal/mol:	-7.16
Dipole, Da:	6.03
IP(EA), eV:	-9.94(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxy-7-methyl-1-benzothiophen-6-yl)acetic acid

Drug info:

PubChemData

Smile

C1CC2=C(CC1N)C(=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations