Geometry & MOs

Info

ID:	408688
PubChem CID:	135081456
Reduced:	ZrCl2C32H40 (1)
Stoich.:	AB2C32D40 (1)
Weight, g/mol:	424.313001
ΔH_f, kcal/mol:	32.28
Dipole, Da:	3.28
IP(EA), eV:	-6.87(-0.98)
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)CC[C]4[CH][CH][C]([CH]4)C(C)(C)C.Cl[Zr]Cl

DOS

IR

Vibrations