Geometry & MOs

Info

ID:	27228
PubChem CID:	819789
Reduced:	OH2N2C3 (2)
Stoich.:	AB2C2D3 (2)
Weight, g/mol:	168.020274
ΔH_f, kcal/mol:	7.41
Dipole, Da:	0.28
IP(EA), eV:	-9.54(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine

Drug info:

PubChemData

Smile

C1=CN=C2C(=N1)C(=O)NNC2=O

DOS

IR

Vibrations