Geometry & MOs

Info

ID:	373926
PubChem CID:	131321359
Reduced:	N5C7H11 (1)
Stoich.:	A5B7C11 (1)
Weight, g/mol:	303.89604
ΔH_f, kcal/mol:	71.91
Dipole, Da:	2.79
IP(EA), eV:	-9.96(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-7-(chloromethyl)-1-benzothiophene-6-carboxylic acid

Drug info:

PubChemData

Smile

CN1C(=NC=N1)CC(CN)C#N

DOS

IR

Vibrations