Geometry & MOs

Info

ID:	408561
PubChem CID:	135081327
Reduced:	ZrCl2H38C39 (1)
Stoich.:	AB2C38D39 (1)
Weight, g/mol:	506.297351
ΔH_f, kcal/mol:	501.17
Dipole, Da:	15.32
IP(EA), eV:	-6.76(-1.6)
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][CH][CH]6.Cl[Zr]Cl

DOS

IR

Vibrations