Geometry & MOs

Info

ID:	365295
PubChem CID:	127317657
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	328.145678
ΔH_f, kcal/mol:	16.51
Dipole, Da:	4.58
IP(EA), eV:	-9.07(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclohexylmethylsulfonylmethyl)-5-(oxan-4-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=NC=CN2)C(=O)C3CC4CC3C=C4

DOS

IR

Vibrations