Geometry & MOs

Info

ID:	57836
PubChem CID:	24277638
Reduced:	ClON2H3C6 (2)
Stoich.:	ABC2D3E6 (2)
Weight, g/mol:	270.07529
ΔH_f, kcal/mol:	31.2
Dipole, Da:	1.11
IP(EA), eV:	-9.86(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)C2=NN=C3N2N=C(C=C3)C(=O)O

DOS

IR

Vibrations