Geometry & MOs

Info

ID:	225964
PubChem CID:	87246494
Reduced:	BrFN2H12C14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	465.212693
ΔH_f, kcal/mol:	32.38
Dipole, Da:	3.58
IP(EA), eV:	-8.58(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-ethyl-7-[2-[(E)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-5-oxocyclopent-2-en-1-yl]hept-5-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C/C=N/NC2=CC=C(C=C2)Br)F

DOS

IR

Vibrations