Geometry & MOs

Info

ID:	184592
PubChem CID:	77180576
Reduced:	NCl2F3O5H20C24 (1)
Stoich.:	AB2C3D5E20F24 (1)
Weight, g/mol:	278.126657
ΔH_f, kcal/mol:	-303.73
Dipole, Da:	5.27
IP(EA), eV:	-9.82(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(oxan-2-yloxymethyl)phenyl]-1,2,4-oxadiazolidin-5-one

Drug info:

PubChemData

Smile

CC1=NC(=O)C=CC1C(C(C)C2=C(C=CC(=C2)OC3=CC(=C(C=C3)C(=O)OC)Cl)Cl)(C(F)(F)F)O

DOS

IR

Vibrations