Geometry & MOs

Info

ID:

299305

PubChem CID:

117682559

Reduced:

NOH28C33 (2)

Stoich.:

ABC28D33 (2)

Weight, g/mol:

1008.392708

ΔHf, kcal/mol:

119.5

Dipole, Da:

0.49

IP(EA), eV:

 -7.53(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-di(dibenzofuran-4-yl)pyrene-1,6-diamine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(C2=C3C=CC4=C5C3=C(C=CC5=C(C=C4)N(C6=CC=CC=C6C)C7=CC=CC8=C7OC9=C8C=CC=C9C1CCCCC1)C=C2)C1=CC=CC2=C1OC1=C2C=CC=C1C1CCCCC1

DOS

IR

Vibrations