Geometry & MOs

Info

ID:	374157
PubChem CID:	131324624
Reduced:	ClOF3N3H5C7 (1)
Stoich.:	ABC3D3E5F7 (1)
Weight, g/mol:	240.001178
ΔH_f, kcal/mol:	-149.27
Dipole, Da:	4.07
IP(EA), eV:	-10.64(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-ethoxy-1-benzothiophene-6-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1C(=O)NN)C(F)(F)F)Cl

DOS

IR

Vibrations