Geometry & MOs

Info

ID:	374003
PubChem CID:	131322203
Reduced:	NO2C9H15 (1)
Stoich.:	AB2C9D15 (1)
Weight, g/mol:	297.96631
ΔH_f, kcal/mol:	-91.32
Dipole, Da:	1.93
IP(EA), eV:	-9.33(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(bromomethyl)-4-methyl-1-benzothiophen-6-yl]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(NCC1)C

DOS

IR

Vibrations