Geometry & MOs

Info

ID:	372680
PubChem CID:	131302031
Reduced:	NO3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	238.02998
ΔH_f, kcal/mol:	-84.28
Dipole, Da:	5.94
IP(EA), eV:	-9.31(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-hydroxy-7-(hydroxymethyl)-1-benzothiophen-5-yl]acetic acid

Drug info:

PubChemData

Smile

CCC1=C(C=CC=[N+]1[O-])C(C)(C)C(=O)O

DOS

IR

Vibrations