Geometry & MOs

Info

ID:	204760
PubChem CID:	80004399
Reduced:	BrN2O3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	278.053886
ΔH_f, kcal/mol:	-106.73
Dipole, Da:	2.04
IP(EA), eV:	-9.07(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CN(CCOC1=CC=C(C=C1)Br)C(=O)C2CCC(O2)CN

DOS

IR

Vibrations