Geometry & MOs

Info

ID:	373586
PubChem CID:	131317529
Reduced:	ON2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	236.01433
ΔH_f, kcal/mol:	14.96
Dipole, Da:	5.43
IP(EA), eV:	-8.95(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-formyl-3-hydroxy-1-benzothiophene-7-carboxylate

Drug info:

PubChemData

Smile

CC(C#N)N1CC(=O)CC2=CC=CC=C21

DOS

IR

Vibrations