Geometry & MOs

Info

ID:	398242
PubChem CID:	135032451
Reduced:	O2N4H26C27 (1)
Stoich.:	A2B4C26D27 (1)
Weight, g/mol:	289.058637
ΔH_f, kcal/mol:	60.5
Dipole, Da:	7.01
IP(EA), eV:	-8.87(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylic acid

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)/C(=C/C(=O)OCC2=CN(N=N2)CC3=CC=CC=C3)/C4=CC=CC=C4

DOS

IR

Vibrations