Geometry & MOs

Info

ID:	57835
PubChem CID:	24277637
Reduced:	ClO2N4H7C12 (1)
Stoich.:	AB2C4D7E12 (1)
Weight, g/mol:	307.986781
ΔH_f, kcal/mol:	38.38
Dipole, Da:	0.64
IP(EA), eV:	-9.65(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NN=C3N2N=C(C=C3)C(=O)O)Cl

DOS

IR

Vibrations