Geometry & MOs

Info

ID:

299256

PubChem CID:

117682341

Reduced:

NOH30C33 (2)

Stoich.:

ABC30D33 (2)

Weight, g/mol:

884.434179

ΔHf, kcal/mol:

94.83

Dipole, Da:

1.05

IP(EA), eV:

 -7.71(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis(6-ethyldibenzofuran-4-yl)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=C8C=CC=C9C(C)(C)C)C=C2)C1=CC=CC2=C1OC1=C2C=CC=C1C(C)(C)C

DOS

IR

Vibrations