Geometry & MOs

Info

ID:

299295

PubChem CID:

117682518

Reduced:

NOH32C34 (2)

Stoich.:

ABC32D34 (2)

Weight, g/mol:

940.496779

ΔHf, kcal/mol:

76.42

Dipole, Da:

0.91

IP(EA), eV:

 -7.64(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N,6-N-bis(6-tert-butyl-8-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine

Drug info:

PubChemData

Smile

CC1=C2C3=C(C(=CC=C3)N(C4=CC=CC=C4)C5=C6C=CC7=C8C6=C(C=CC8=C(C=C7C(C)C)N(C9=CC=CC=C9)C3=CC=CC4=C3OC3=C(C=CC(=C43)C)C(C)(C)C)C(=C5)C(C)C)OC2=C(C=C1)C(C)(C)C

DOS

IR

Vibrations