Geometry & MOs

Info

ID:	410967
PubChem CID:	135083771
Reduced:	FeOPC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	225.136493
ΔH_f, kcal/mol:	1.09
Dipole, Da:	3.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.289344
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-non-2-enoyl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

[CH3-].[CH3-].CC1=CPC(=C1C)C=O.[CH-]1C=CC=C1.[Fe+3]

DOS

IR

Vibrations