Geometry & MOs

Info

ID:	372844
PubChem CID:	131305855
Reduced:	ClON2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	234.035065
ΔH_f, kcal/mol:	-12.94
Dipole, Da:	4.18
IP(EA), eV:	-9.09(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-formyl-5-methyl-1-benzothiophene-6-carboxylate

Drug info:

PubChemData

Smile

CC(C1=NC2=C(N1C)C(=CC=C2)Cl)C(=O)C

DOS

IR

Vibrations