Geometry & MOs

Info

ID:	408565
PubChem CID:	135081331
Reduced:	ZrCl2C43H46 (1)
Stoich.:	AB2C43D46 (1)
Weight, g/mol:	562.359951
ΔH_f, kcal/mol:	261.33
Dipole, Da:	12.76
IP(EA), eV:	-7.64(-2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C[C]2[C]1[C]([C]3[C]2C=CC=C3C(C)(C)C)C(C4=CC=CC=C4)(C5=CC=CC=C5)[C]6[CH][CH][C]([CH]6)C(C)(C)C.Cl[Zr]Cl

DOS

IR

Vibrations