Geometry & MOs

Info

ID:	374271
PubChem CID:	131326031
Reduced:	ClN2O2H7C11 (1)
Stoich.:	AB2C2D7E11 (1)
Weight, g/mol:	303.93243
ΔH_f, kcal/mol:	-17.67
Dipole, Da:	1.97
IP(EA), eV:	-9.62(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-7-(chloromethyl)-3-ethoxy-1-benzothiophene

Drug info:

PubChemData

Smile

C1CN(C2=C(C1=O)C=C(C=C2)Cl)C(=O)C#N

DOS

IR

Vibrations