Geometry & MOs

Info

ID:	375085
PubChem CID:	131465885
Reduced:	FNO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	209.014664
ΔH_f, kcal/mol:	-82.38
Dipole, Da:	4.96
IP(EA), eV:	-9.68(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-oxo-7H-thieno[2,3-b]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C#N)C(C1=C(C(=CC=C1)F)OC)O

DOS

IR

Vibrations