Geometry & MOs

Info

ID:

299264

PubChem CID:

117682364

Reduced:

ON2H23C31 (2)

Stoich.:

AB2C23D31 (2)

Weight, g/mol:

856.402879

ΔHf, kcal/mol:

200.57

Dipole, Da:

7.03

IP(EA), eV:

 -8.19(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N,6-N-bis(2,4-dimethylphenyl)-1-N,6-N-bis(6-propyldibenzofuran-4-yl)pyrene-1,6-diamine

Drug info:

PubChemData

Smile

CCCCC1=C2C(=CC=C1)C3=C(O2)C(=CC=C3)N(C4=CC=C(C=C4)C#N)C5=C6C=CC7=C8C6=C(C=CC8=C(C=C7)N(C9=CC=C(C=C9)C#N)C1=CC=CC2=C1OC1=C(C=CC=C21)CCCC)C=C5

DOS

IR

Vibrations