Geometry & MOs

Info

ID:	200442
PubChem CID:	79389793
Reduced:	ON5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	251.138225
ΔH_f, kcal/mol:	43.43
Dipole, Da:	6.65
IP(EA), eV:	-9.21(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

Drug info:

PubChemData

Smile

CCN(CC(C)(C)O)C1=NN=NN1C2=CC=CC=C2

DOS

IR

Vibrations