Geometry & MOs

Info

ID:	229090
PubChem CID:	87566932
Reduced:	ZrCl2Si3C36H40 (1)
Stoich.:	AB2C3D36E40 (1)
Weight, g/mol:	722.5411
ΔH_f, kcal/mol:	-76.43
Dipole, Da:	19.08
IP(EA), eV:	-7.09(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N,2,3,4-pentaiodoaniline

Drug info:

PubChemData

Smile

C[Si](C)(C)C1=CC2=CC=CC=C2[CH-]1.C[Si](C)(C)C1=CC2=CC=CC=C2[CH-]1.C1=CC=C(C=C1)[Si](=[Zr+2])C2=CC=CC=C2.[Cl-].[Cl-]

DOS

IR

Vibrations