Geometry & MOs

Info

ID:	372135
PubChem CID:	131293569
Reduced:	ON3H7C10 (1)
Stoich.:	AB3C7D10 (1)
Weight, g/mol:	325.89793
ΔH_f, kcal/mol:	68.26
Dipole, Da:	2.79
IP(EA), eV:	-9.32(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(bromomethyl)-3-chloro-4-(difluoromethoxy)-1-benzothiophene

Drug info:

PubChemData

Smile

CN1C2=C(C=CC=C2C(=O)C#N)C=N1

DOS

IR

Vibrations