Geometry & MOs

Info

ID:

377124

PubChem CID:

134223162

Reduced:

O7C19H20 (2)

Stoich.:

A7B19C20 (2)

Weight, g/mol:

692.210506

ΔHf, kcal/mol:

-452.01

Dipole, Da:

6.75

IP(EA), eV:

 -9.11(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O-[3,4-bis(2-oxobut-3-enoxy)phenyl] 4-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate

Drug info:

PubChemData

Smile

C=CC(=O)COC1=C(C=C(C=C1)C(=O)OC2CCC(CC2)CCOC(=O)C3=CC(=C(C=C3)OCOC(=O)C=C)OCOC(=O)C=C)OCC(=O)C=C

DOS

IR

Vibrations