Geometry & MOs

Info

ID:	372624
PubChem CID:	131301080
Reduced:	BrO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	283.95066
ΔH_f, kcal/mol:	-83.0
Dipole, Da:	5.27
IP(EA), eV:	-8.86(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bromomethyl)-4-methyl-1-benzothiophene-5-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)C(C(=O)C)Br)OCC

DOS

IR

Vibrations