Geometry & MOs

Info

ID:	207813
PubChem CID:	80452851
Reduced:	FON3H14C15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	259.039319
ΔH_f, kcal/mol:	-5.94
Dipole, Da:	5.8
IP(EA), eV:	-9.7(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-cyano-3-fluorophenoxy)pyridazine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C(C1=CC=CC=N1)OC2=CC(=C(C=C2)C#N)F)N

DOS

IR

Vibrations