Geometry & MOs

Info

ID:	122983
PubChem CID:	50829490
Reduced:	ON7C21H25 (1)
Stoich.:	AB7C21D25 (1)
Weight, g/mol:	403.212058
ΔH_f, kcal/mol:	114.93
Dipole, Da:	8.31
IP(EA), eV:	-9.05(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylphenyl)-5-[2-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCCN(C)C1=NN2C(=NN=C2CCC3=NC(=NO3)C4=CC=C(C=C4)C)C=C1

DOS

IR

Vibrations