Geometry & MOs

Info

ID:	286184
PubChem CID:	104158730
Reduced:	ON2C17H24 (1)
Stoich.:	AB2C17D24 (1)
Weight, g/mol:	265.153875
ΔH_f, kcal/mol:	-26.41
Dipole, Da:	2.91
IP(EA), eV:	-8.55(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=CC=CC=C2N=C1NCCCCOC(C)C

DOS

IR

Vibrations