Geometry & MOs

Info

ID:	199140
PubChem CID:	79204097
Reduced:	ClOSN2H15C16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	294.205576
ΔH_f, kcal/mol:	25.8
Dipole, Da:	2.86
IP(EA), eV:	-9.14(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methoxypropan-2-yl)-5-(1-piperidin-4-ylpyrrolidin-2-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)(C1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=N1)Cl)OC

DOS

IR

Vibrations