Geometry & MOs

Info

ID:

299261

PubChem CID:

117682354

Reduced:

NOH28C33 (2)

Stoich.:

ABC28D33 (2)

Weight, g/mol:

912.465479

ΔHf, kcal/mol:

113.02

Dipole, Da:

0.73

IP(EA), eV:

 -7.7(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N,6-N-bis(4-ethylphenyl)-1-N,6-N-bis[6-(2-methylbutan-2-yl)dibenzofuran-4-yl]pyrene-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=CC(=C6)C)C7=CC=CC8=C7OC9=C8C=CC=C9C1CCCCC1)C=C2)C1=CC=CC2=C1OC1=C2C=CC=C1C1CCCCC1

DOS

IR

Vibrations