Geometry & MOs

Info

ID:	431295
PubChem CID:	135171366
Reduced:	BrClOSN4C12H12 (1)
Stoich.:	ABCDE4F12G12 (1)
Weight, g/mol:	478.06142
ΔH_f, kcal/mol:	29.83
Dipole, Da:	6.98
IP(EA), eV:	-8.88(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[4-(6-iodopyridin-3-yl)oxypiperidin-1-yl]-5-methylpyridazin-3-yl]-5-methyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1C[C@H]2CN(C[C@@H]1O2)C3=NC(=CS3)N4C=NC(=C4Cl)Br

DOS

IR

Vibrations