Geometry & MOs

Info

ID:

299241

PubChem CID:

117682307

Reduced:

NOH32C43 (2)

Stoich.:

ABC32D43 (2)

Weight, g/mol:

856.402879

ΔHf, kcal/mol:

282.12

Dipole, Da:

7.22

IP(EA), eV:

 -6.83(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis(6-propan-2-yldibenzofuran-4-yl)pyrene-1,6-diamine

Drug info:

PubChemData

Smile

C1CCC(C1)C2=CC=CC3=C2OC4=C3C=CC=C4N(C5=C6C=CC7=C8C6=C(C=CC8=C(C=C7)N(C9=C(C=C(C=C9)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC2=C1OC1=C2C=CC=C1C1CCCC1)C=C5)C1=C(C=C(C=C1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations