Geometry & MOs

Info

ID:	179953
PubChem CID:	76558331
Reduced:	NOPTiCl2C24H36 (1)
Stoich.:	ABCDE2F24G36 (1)
Weight, g/mol:	501.123448
ΔH_f, kcal/mol:	-222.05
Dipole, Da:	12.99
IP(EA), eV:	-6.79(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-2-methyl-6-[2-methyl-6-(piperidin-1-ylmethyl)phenyl]phosphanylphenol;dichlorotitanium

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)CN(C)C)PC2=CC(=CC(=C2O)C(C)(C)C)C(C)(C)C.Cl[Ti]Cl

DOS

IR

Vibrations