Geometry & MOs

Info

ID:	365647
PubChem CID:	127318368
Reduced:	ON2C10H16 (1)
Stoich.:	AB2C10D16 (1)
Weight, g/mol:	390.172562
ΔH_f, kcal/mol:	-10.45
Dipole, Da:	1.91
IP(EA), eV:	-10.37(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-(4-piperidin-1-yl-3-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CC2CCCCC2

DOS

IR

Vibrations