Geometry & MOs

Info

ID:	226846
PubChem CID:	87558605
Reduced:	ZrO7F12H24C29 (1)
Stoich.:	AB7C12D24E29 (1)
Weight, g/mol:	597.217037
ΔH_f, kcal/mol:	-595.73
Dipole, Da:	3.98
IP(EA), eV:	-4.91(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

dichlorotitanium;4-methyl-2,6-bis(2-propan-2-ylphenyl)phenol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene

Drug info:

PubChemData

Smile

COCC1=C(C(=C(C(=C1F)F)COC(CO)(OCC2=C(C(=C(C(=C2F)F)COC)F)F)OCC3=C(C(=C(C(=C3F)F)COC)F)F)F)F.[Zr]

DOS

IR

Vibrations