Geometry & MOs

Info

ID:

220214

PubChem CID:

85165371

Reduced:

O11C37H54 (1)

Stoich.:

A11B37C54 (1)

Weight, g/mol:

674.391252

ΔHf, kcal/mol:

-481.63

Dipole, Da:

3.64

IP(EA), eV:

 -9.3(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1,4-bis(4-ethylphenyl)-4-[4-[1-(4-ethylphenyl)ethenyl]phenyl]buta-1,3-dienyl]-4-[1-(4-ethylphenyl)ethenyl]benzene

Drug info:

PubChemData

Smile

CC(CC(=O)C1C(O1)(C)C)C2C(=O)C(C3(C2(C(CC45C3=CCC6C4(C5)CCC(C6(C)C)OC7C(C(C(CO7)O)O)O)OC(=O)C)C)C)O

DOS

IR

Vibrations