Geometry & MOs

Info

ID:

232331

PubChem CID:

87575999

Reduced:

TiO7C8H9 (1)

Stoich.:

AB7C8D9 (1)

Weight, g/mol:

428.305547

ΔHf, kcal/mol:

-252.05

Dipole, Da:

11.62

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.776055

Charge, e:

 0

Chem-info

IUPAC name:

tris[(E)-oct-1-enyl] phosphate

Drug info:

PubChemData

Smile

C=CC(=O)O.C=CC(=O)O.C(=O)[C-]=O.O=[Ti+]

DOS

IR

Vibrations