Geometry & MOs

Info

ID:	176153
PubChem CID:	76002190
Reduced:	NO3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	245.068808
ΔH_f, kcal/mol:	-72.55
Dipole, Da:	5.96
IP(EA), eV:	-9.72(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C2C=C(C=NC2=O)C(=O)O)C

DOS

IR

Vibrations