Geometry & MOs

Info

ID:

398119

PubChem CID:

135031851

Reduced:

O4H23C24 (1)

Stoich.:

A4B23C24 (1)

Weight, g/mol:

296.139902

ΔHf, kcal/mol:

-91.34

Dipole, Da:

3.46

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.764691

Charge, e:

 -1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(=O)C1=C(CC(C(C1C2=CC=CC=C2)(C(=O)C)C(=O)C)C3=CC=CC=C3)[O-]

DOS

IR

Vibrations