Geometry & MOs

Info

ID:

299269

PubChem CID:

117682407

Reduced:

NOH30C33 (2)

Stoich.:

ABC30D33 (2)

Weight, g/mol:

940.496779

ΔHf, kcal/mol:

71.75

Dipole, Da:

0.6

IP(EA), eV:

 -7.79(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N,6-N-bis(6,8-ditert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N(C2=C3C=CC4=C5C3=C(C=CC5=C(C=C4)N(C6=CC=CC7=C6OC8=C7C=C(C=C8C(C)(C)C)C)C9=CC(=CC(=C9)C)C)C=C2)C1=CC=CC2=C1OC1=C2C=C(C=C1C(C)(C)C)C)C

DOS

IR

Vibrations