Geometry & MOs

Info

ID:	232168
PubChem CID:	87575637
Reduced:	ClO3F6H15C20 (1)
Stoich.:	AB3C6D15E20 (1)
Weight, g/mol:	236.019512
ΔH_f, kcal/mol:	-400.1
Dipole, Da:	6.25
IP(EA), eV:	-9.66(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(E)-4-(2-nitrophenoxy)-4-oxobut-2-enoate

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)OC2=CC(=C(C(=C2)Cl)OCC(F)(F)F)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations