Geometry & MOs

Info

ID:	183337
PubChem CID:	77009759
Reduced:	N2F3O3C11H11 (1)
Stoich.:	A2B3C3D11E11 (1)
Weight, g/mol:	269.116427
ΔH_f, kcal/mol:	-210.19
Dipole, Da:	2.57
IP(EA), eV:	-8.42(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazolidin-5-ylidene]pyridin-3-one

Drug info:

PubChemData

Smile

COC1=CC(=C2NC(NO2)CC(F)(F)F)C(=O)C=C1

DOS

IR

Vibrations