Geometry & MOs

Info

ID:	408555
PubChem CID:	135081321
Reduced:	ZrCl2C40H40 (1)
Stoich.:	AB2C40D40 (1)
Weight, g/mol:	520.313001
ΔH_f, kcal/mol:	214.28
Dipole, Da:	16.32
IP(EA), eV:	-5.55(-2.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C]1[CH][C]2C(=CC=C([C]2[C]1CC[C]3[C]([CH][C]4[C]3C(=CC=C4C5=CC=CC=C5)C(C)C)C)C(C)C)C6=CC=CC=C6.Cl[Zr]Cl

DOS

IR

Vibrations