Geometry & MOs

Info

ID:	365665
PubChem CID:	127318386
Reduced:	NO2C7H11 (2)
Stoich.:	AB2C7D11 (2)
Weight, g/mol:	391.156577
ΔH_f, kcal/mol:	-122.93
Dipole, Da:	2.51
IP(EA), eV:	-9.66(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-(oxan-4-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C1=NC(=NO1)C2CCOCC2)OCC3CCCO3

DOS

IR

Vibrations