Geometry & MOs

Info

ID:	408690
PubChem CID:	135081458
Reduced:	ZrCl2C29H34 (1)
Stoich.:	AB2C29D34 (1)
Weight, g/mol:	382.266051
ΔH_f, kcal/mol:	45.23
Dipole, Da:	4.59
IP(EA), eV:	-7.02(-1.01)
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(C)(C)[C]4[CH][CH][CH][CH]4.Cl[Zr]Cl

DOS

IR

Vibrations