Geometry & MOs

Info

ID:

449553

PubChem CID:

135299559

Reduced:

NH23C30 (2)

Stoich.:

AB23C30 (2)

Weight, g/mol:

796.38175

ΔHf, kcal/mol:

271.78

Dipole, Da:

1.09

IP(EA), eV:

 -8.01(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclohexa-2,4-dien-1-yl-N-[4-[4-(N-[4-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]phenyl]anilino)phenyl]phenyl]-4-(4-phenylphenyl)aniline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations