Geometry & MOs

Info

ID:	176151
PubChem CID:	76002188
Reduced:	NO3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	243.089543
ΔH_f, kcal/mol:	-78.61
Dipole, Da:	6.37
IP(EA), eV:	-9.66(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethylphenyl)-6-oxo-3H-pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C2=CC(C(=O)N=C2)C(=O)O)C

DOS

IR

Vibrations