Geometry & MOs

Info

ID:	365659
PubChem CID:	127318380
Reduced:	NOC7H11 (2)
Stoich.:	ABC7D11 (2)
Weight, g/mol:	333.205242
ΔH_f, kcal/mol:	-54.61
Dipole, Da:	2.8
IP(EA), eV:	-9.66(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylcyclohexyl)-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CCCC(CC1)C2=NC(=NO2)C3CCOCC3

DOS

IR

Vibrations