Geometry & MOs

Info

ID:	182625
PubChem CID:	76916727
Reduced:	N2O5H10C13 (1)
Stoich.:	A2B5C10D13 (1)
Weight, g/mol:	243.089543
ΔH_f, kcal/mol:	-71.54
Dipole, Da:	7.16
IP(EA), eV:	-10.61(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,4-dimethylphenyl)-2-oxo-3H-pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NC(=O)C(C=C2)C(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations