Geometry & MOs

Info

ID:	373383
PubChem CID:	131314432
Reduced:	N3C11H15 (1)
Stoich.:	A3B11C15 (1)
Weight, g/mol:	349.84348
ΔH_f, kcal/mol:	32.04
Dipole, Da:	3.92
IP(EA), eV:	-8.78(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-5-(bromomethyl)-1-benzothiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(C)(C)CC#N

DOS

IR

Vibrations