Geometry & MOs

Info

ID:	373267
PubChem CID:	131312437
Reduced:	ON2C11H12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	245.97177
ΔH_f, kcal/mol:	5.7
Dipole, Da:	6.14
IP(EA), eV:	-9.11(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-7-(difluoromethyl)-1-benzothiophene-4-carbaldehyde

Drug info:

PubChemData

Smile

C1C(COC2=C1C=C(C=C2)C#N)CN

DOS

IR

Vibrations