Geometry & MOs

Info

ID:	408698
PubChem CID:	135081466
Reduced:	ZrCl2C25H26 (1)
Stoich.:	AB2C25D26 (1)
Weight, g/mol:	598.171056
ΔH_f, kcal/mol:	35.78
Dipole, Da:	6.08
IP(EA), eV:	-7.58(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)(C)[C]1[CH][CH][C]([CH]1)C(C)(C)[C]2[C]3C=CC=C[C]3[C]4[C]2C=CC=C4.Cl[Zr]Cl

DOS

IR

Vibrations