Geometry & MOs

Info

ID:	412925
PubChem CID:	135085862
Reduced:	ClFLiZnO2C11H14 (1)
Stoich.:	ABCDE2F11G14 (1)
Weight, g/mol:	318.93415
ΔH_f, kcal/mol:	-133.13
Dipole, Da:	13.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.962458
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl) (E)-3-iodoprop-2-enoate

Drug info:

PubChemData

Smile

[Li+].CC(C)(C)C(=O)O.C1=CC(=CC=[C-]1)F.[Cl-].[Zn]

DOS

IR

Vibrations