Geometry & MOs

Info

ID:

449556

PubChem CID:

135299584

Reduced:

NH43C61 (1)

Stoich.:

AB43C61 (1)

Weight, g/mol:

641.271865

ΔHf, kcal/mol:

255.27

Dipole, Da:

0.72

IP(EA), eV:

 -7.94(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-phenyl-4-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC5=C(C=C4)C6=CC=CC=C6C5(C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9C1=CC=C(C=C1)C1=CC=CC=C1

DOS

IR

Vibrations