Geometry & MOs

Info

ID:	10886
PubChem CID:	108687
Reduced:	TiO2C6H13 (1)
Stoich.:	AB2C6D13 (1)
Weight, g/mol:	165.039496
ΔH_f, kcal/mol:	-40.33
Dipole, Da:	6.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.893784
Charge, e:	3

Chem-info

IUPAC name:

6-hydroxyhexan-1-olate;titanium(4+)

Drug info:

PubChemData

Smile

C(CCC[O-])CCO.[Ti+4]

DOS

IR

Vibrations