Geometry & MOs

Info

ID:

26057

PubChem CID:

637392

Reduced:

O4C13H17 (2)

Stoich.:

A4B13C17 (2)

Weight, g/mol:

384.120903

ΔHf, kcal/mol:

-310.11

Dipole, Da:

3.69

IP(EA), eV:

 -9.07(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1C[C@@]2([C@H](C[C@H]([C@]3([C@@]2(CC[C@@H]3C4=COC(=O)C=C4)O)C)O)[C@@]5(C1=C[C@H](CC5)O)C)O

DOS

IR

Vibrations