Geometry & MOs

Info

ID:	370822
PubChem CID:	127340732
Reduced:	SN3O4C18H27 (1)
Stoich.:	AB3C4D18E27 (1)
Weight, g/mol:	307.225977
ΔH_f, kcal/mol:	-151.04
Dipole, Da:	3.9
IP(EA), eV:	-8.78(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-butan-2-ylpiperidin-1-yl)methyl]-5-(oxan-4-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CC(=CC=C1)N2CCCS2(=O)=O)CN3CCOCC3

DOS

IR

Vibrations