Geometry & MOs

Info

ID:	373673
PubChem CID:	131318585
Reduced:	ON2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	236.01433
ΔH_f, kcal/mol:	16.56
Dipole, Da:	2.86
IP(EA), eV:	-8.44(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-formyl-3-hydroxy-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCN1C(=CC2=C1C(=CC=C2)O)CC#N

DOS

IR

Vibrations