Geometry & MOs

Info

ID:	272790
PubChem CID:	103757044
Reduced:	ClSN3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	217.09636
ΔH_f, kcal/mol:	49.77
Dipole, Da:	5.89
IP(EA), eV:	-9.23(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(pent-4-ynylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

Drug info:

PubChemData

Smile

CCC(C1=NC=CS1)NC2=CC(=NC=C2)Cl

DOS

IR

Vibrations