Geometry & MOs

Info

ID:	408699
PubChem CID:	135081467
Reduced:	ZrCl2C33H42 (1)
Stoich.:	AB2C33D42 (1)
Weight, g/mol:	438.328651
ΔH_f, kcal/mol:	23.21
Dipole, Da:	5.92
IP(EA), eV:	-6.96(-1.08)
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][C]([CH]4)C(C)(C)C.Cl[Zr]Cl

DOS

IR

Vibrations