Geometry & MOs

Info

ID:	52664
PubChem CID:	12015649
Reduced:	NiN3O3H13C16 (1)
Stoich.:	AB3C3D13E16 (1)
Weight, g/mol:	285.061278
ΔH_f, kcal/mol:	1.64
Dipole, Da:	7.72
IP(EA), eV:	-9.09(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CC(=NCC(=O)[O-])C1=CC=CC=C1[N-]C(=O)C2=CC=CC=N2.[Ni+2]

DOS

IR

Vibrations