Geometry & MOs

Info

ID:	233194
PubChem CID:	87793161
Reduced:	HfCl2H13C15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	568.228265
ΔH_f, kcal/mol:	-35.44
Dipole, Da:	3.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768105
Charge, e:	0

Chem-info

IUPAC name:

2,4-ditert-butylphenol;methylidenezirconium(2+);2-methyl-1H-inden-1-ide

Drug info:

PubChemData

Smile

[CH-]1C=CC2=C1C=CC=C2C3=CC=CC=C3.Cl.Cl.[Hf]

DOS

IR

Vibrations