Geometry & MOs

Info

ID:	373128
PubChem CID:	131310434
Reduced:	BrN2O2C10H11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	237.045964
ΔH_f, kcal/mol:	3.79
Dipole, Da:	5.15
IP(EA), eV:	-9.87(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,3-dimethyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

C1CC2=CC(=C(C=C2C[C@@H]1N)[N+](=O)[O-])Br

DOS

IR

Vibrations