Geometry & MOs

Info

ID:	374874
PubChem CID:	131349614
Reduced:	ClN4H9C10 (1)
Stoich.:	AB4C9D10 (1)
Weight, g/mol:	245.97177
ΔH_f, kcal/mol:	72.68
Dipole, Da:	3.53
IP(EA), eV:	-8.34(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-(difluoromethyl)-1-benzothiophene-2-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC2=C(N=C(N2C(=C1)N)CCC#N)Cl

DOS

IR

Vibrations