Geometry & MOs

Info

ID:	183546
PubChem CID:	77037467
Reduced:	FN2O3H11C15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	289.057294
ΔH_f, kcal/mol:	-96.52
Dipole, Da:	3.19
IP(EA), eV:	-9.62(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[[2-(3,6-dioxopyridazin-1-ium-1-yl)acetyl]amino]pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=CC(=O)NC2=C(C=CN=C2)C(=O)O)F

DOS

IR

Vibrations