Geometry & MOs

Info

ID:

319953

PubChem CID:

126657666

Reduced:

S2N5H53C80 (1)

Stoich.:

A2B5C53D80 (1)

Weight, g/mol:

860.340279

ΔHf, kcal/mol:

356.27

Dipole, Da:

4.79

IP(EA), eV:

 -7.49(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-N-[8-[(1Z)-buta-1,3-dienyl]-9-methyldibenzofuran-4-yl]-5,10-dimethyl-1-N-naphtho[2,1-b][1]benzofuran-8-yl-1-N,6-N-diphenylpyrene-1,6-diamine

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C3=CC4=C(C=C3)N(C5=C4C=C(C=C5)C6=CC(=CC=C6)N7C8=C(C=C(C=C8)C9=CC2=C(C=C9)N(C3=CC=CC=C3S2)C)SC2=CC=CC=C27)C2=CC=CC=C2)C2=C1C=CC(=C2)C1=CC2=C(C=C1)N(C1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations