Geometry & MOs

Info

ID:	176157
PubChem CID:	76002194
Reduced:	NO4H11C13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	245.068808
ΔH_f, kcal/mol:	-105.85
Dipole, Da:	4.56
IP(EA), eV:	-10.07(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(hydroxymethyl)phenyl]-2-oxo-3H-pyridine-5-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations