Geometry & MOs

Info

ID:	408567
PubChem CID:	135081333
Reduced:	ZrCl2H32C36 (1)
Stoich.:	AB2C32D36 (1)
Weight, g/mol:	524.245598
ΔH_f, kcal/mol:	40.4
Dipole, Da:	3.82
IP(EA), eV:	-7.77(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC=C([C]2[C]1[C]([C]([CH]2)C)CC[C]3[C]([CH][C]4[C]3C(=CC=C4C5=CC=CC=C5)C)C)C6=CC=CC=C6.Cl[Zr]Cl

DOS

IR

Vibrations