Geometry & MOs

Info

ID:

439479

PubChem CID:

135229253

Reduced:

O3H36C40 (2)

Stoich.:

A3B36C40 (2)

Weight, g/mol:

670.235539

ΔHf, kcal/mol:

159.69

Dipole, Da:

3.44

IP(EA), eV:

 -8.46(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[3-[(4-phenylphenyl)-[2-prop-2-enoyloxy-5-(4-prop-2-enoyloxyphenyl)phenyl]methyl]cyclopenta-1,4-dien-1-yl]phenyl] prop-2-enoate

Drug info:

PubChemData

Smile

C=CCOC1=CC=C(C=C1)C2=CC(C=C2)C(C3=CC=C(C=C3)C4=CC=C(C=C4)C(C/C=C(\C=C/C#C)/C5=CC=C(C=C5)OCC=C)C6=C(C=CC(=C6)C7=CC=C(C=C7)OCC=C)OCC=C)C8=C(C=CC(=C8)C9=CC=C(C=C9)OCC=C)OCC=C

DOS

IR

Vibrations