Geometry & MOs

Info

ID:	182624
PubChem CID:	76916726
Reduced:	NO5C14H15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	274.058971
ΔH_f, kcal/mol:	-190.08
Dipole, Da:	7.92
IP(EA), eV:	-9.09(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methyl-3-nitrophenyl)-2-oxo-3H-pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(NC(=O)C1C(=O)O)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations