Geometry & MOs

Info

ID:	179948
PubChem CID:	76558292
Reduced:	NOPTiCl2H18C20 (1)
Stoich.:	ABCDE2F18G20 (1)
Weight, g/mol:	491.082726
ΔH_f, kcal/mol:	-141.46
Dipole, Da:	8.85
IP(EA), eV:	-7.11(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)PC2=CC=CC=C2C=NC3=CC=CC=C3)O.Cl[Ti]Cl

DOS

IR

Vibrations