Geometry & MOs

Info

ID:	360131
PubChem CID:	127300605
Reduced:	SN3O3C11H13 (1)
Stoich.:	AB3C3D11E13 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	-26.88
Dipole, Da:	1.56
IP(EA), eV:	-9.31(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC2=NOC(=N2)C3COCCO3

DOS

IR

Vibrations