Geometry & MOs

Info

ID:	226005
PubChem CID:	87246590
Reduced:	FeNC2O3H5 (1)
Stoich.:	ABC2D3E5 (1)
Weight, g/mol:	438.165408
ΔH_f, kcal/mol:	111.86
Dipole, Da:	2.48
IP(EA), eV:	-7.28(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-7-[2-[(Z)-1-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-5-oxocyclopenten-1-yl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CCO[N+](=O)[O-].[Fe+3]

DOS

IR

Vibrations