Geometry & MOs

Info

ID:

439445

PubChem CID:

135229219

Reduced:

N2H15C16 (2)

Stoich.:

A2B15C16 (2)

Weight, g/mol:

1212.408477

ΔHf, kcal/mol:

226.99

Dipole, Da:

2.63

IP(EA), eV:

 -8.9(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[3-[[4-[4-[(3E,5Z)-4-(4-prop-2-enoyloxyphenyl)-1-[2-prop-2-enoyloxy-5-(4-prop-2-enoyloxyphenyl)phenyl]octa-3,5-dien-7-ynyl]phenyl]phenyl]-[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

CC/1(/C=C\C=NCC2=C(C=CC(=N2)C3=CC=C(C=C3)C4=NC5=C(/C=C\C/C=C\C=NC5)C=C4)/C=C1)C

DOS

IR

Vibrations