Geometry & MOs

Info

ID:

437160

PubChem CID:

135215328

Reduced:

O4C25H30 (1)

Stoich.:

A4B25C30 (1)

Weight, g/mol:

1392.572463

ΔHf, kcal/mol:

-68.44

Dipole, Da:

4.27

IP(EA), eV:

 -8.65(0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(N-[9-[4-[4-[3,6-bis[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-9-yl]phenyl]phenyl]-6-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]carbazol-3-yl]-4-methoxyanilino)phenyl]methanol

Drug info:

PubChemData

Smile

CC1CCCC(C1)(C2=CC=C(C=C2)OCC3CO3)C4=CC=C(C=C4)OCC5CO5

DOS

IR

Vibrations