Geometry & MOs

Info

ID:	208313
PubChem CID:	80517268
Reduced:	OH2N3C4 (2)
Stoich.:	AB2C3D4 (2)
Weight, g/mol:	258.100442
ΔH_f, kcal/mol:	80.21
Dipole, Da:	6.81
IP(EA), eV:	-10.91(-2.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3,6-trimethylphenoxy)pyridazine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CN=NC(=C1C(=O)O)N2C=NC(=N2)C#N

DOS

IR

Vibrations