Geometry & MOs

Info

ID:	295222
PubChem CID:	117522074
Reduced:	N2O3H8C11 (1)
Stoich.:	A2B3C8D11 (1)
Weight, g/mol:	233.068808
ΔH_f, kcal/mol:	-68.42
Dipole, Da:	8.07
IP(EA), eV:	-9.61(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(furan-2-yl)ethyl]-4-oxo-1H-pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=CNC=C(C2=O)C(=O)O

DOS

IR

Vibrations