Geometry & MOs

Info

ID:	408823
PubChem CID:	135081593
Reduced:	ZrCl2H30C35 (1)
Stoich.:	AB2C30D35 (1)
Weight, g/mol:	450.234751
ΔH_f, kcal/mol:	38.03
Dipole, Da:	5.17
IP(EA), eV:	-8.38(-1.66)
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(C2=CC=CC=C2)(C3=CC=CC=C3)[C]4[C]5C=CC=C[C]5[C]6[C]4C=CC=C6.Cl[Zr]Cl

DOS

IR

Vibrations