Geometry & MOs

Info

ID:	27982
PubChem CID:	824648
Reduced:	BrNOH6C9 (1)
Stoich.:	ABCD6E9 (1)
Weight, g/mol:	181.073893
ΔH_f, kcal/mol:	6.78
Dipole, Da:	5.15
IP(EA), eV:	-8.7(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-4-oxo-1H-pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=CC=C(C(=O)N2C=C1)Br

DOS

IR

Vibrations