Geometry & MOs

Info

ID:	372814
PubChem CID:	131305226
Reduced:	ON2C9H16 (1)
Stoich.:	AB2C9D16 (1)
Weight, g/mol:	280.951
ΔH_f, kcal/mol:	-40.03
Dipole, Da:	4.23
IP(EA), eV:	-8.47(1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-ethoxy-1-benzothiophene-6-carbonitrile

Drug info:

PubChemData

Smile

CC1=CN(C(=C1C)C(CN)O)C

DOS

IR

Vibrations