Geometry & MOs

Info

ID:	366906
PubChem CID:	127321815
Reduced:	NSO3C13H21 (1)
Stoich.:	ABC3D13E21 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-144.33
Dipole, Da:	4.82
IP(EA), eV:	-9.55(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-azaspiro[5.5]undec-9-en-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-one

Drug info:

PubChemData

Smile

CS(=O)(=O)CC(=O)N1CCCC2(C1)CCC=CC2

DOS

IR

Vibrations