Geometry & MOs

Info

ID:

299280

PubChem CID:

117682449

Reduced:

NOH26C31 (2)

Stoich.:

ABC26D31 (2)

Weight, g/mol:

896.340279

ΔHf, kcal/mol:

118.61

Dipole, Da:

0.91

IP(EA), eV:

 -7.7(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)N(C2=C3C=CC4=C5C3=C(C=CC5=C(C=C4)N(C6=CC=C(C=C6)CCC)C7=CC=CC8=C7OC9=C(C=CC=C89)CC)C=C2)C1=CC=CC2=C1OC1=C(C=CC=C21)CC

DOS

IR

Vibrations