Geometry & MOs

Info

ID:	408563
PubChem CID:	135081329
Reduced:	ZrCl2C40H40 (1)
Stoich.:	AB2C40D40 (1)
Weight, g/mol:	520.313001
ΔH_f, kcal/mol:	35.05
Dipole, Da:	8.73
IP(EA), eV:	-6.36(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C]1[CH][CH][C]([CH]1)C(C2=CC=CC=C2)(C3=CC=CC=C3)[C]4[C]5[C](C=CC=C5C(C)(C)C)[C]6[C]4C(=CC=C6)C(C)(C)C.Cl[Zr]Cl

DOS

IR

Vibrations