Geometry & MOs

Info

ID:	295221
PubChem CID:	117522045
Reduced:	FON2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	216.053492
ΔH_f, kcal/mol:	-62.06
Dipole, Da:	4.8
IP(EA), eV:	-8.84(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-5-pyridin-2-yl-1H-pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CCC2=CC(=O)NC(=C2)N)F

DOS

IR

Vibrations