Geometry & MOs

Info

ID:	176158
PubChem CID:	76002196
Reduced:	NO4H11C13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	245.068808
ΔH_f, kcal/mol:	-99.71
Dipole, Da:	5.86
IP(EA), eV:	-10.07(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(hydroxymethyl)phenyl]-2-oxo-3H-pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C2C=C(C=NC2=O)C(=O)O)CO

DOS

IR

Vibrations