Geometry & MOs

Info

ID:

299277

PubChem CID:

117682431

Reduced:

NOH26C35 (2)

Stoich.:

ABC26D35 (2)

Weight, g/mol:

856.402879

ΔHf, kcal/mol:

193.76

Dipole, Da:

0.72

IP(EA), eV:

 -7.64(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC2=C1OC3=C2C=CC=C3N(C4=C5C=CC6=C7C5=C(C=CC7=C(C=C6)N(C8=CC=CC=C8C9=CC=CC=C9)C1=CC=CC2=C1OC1=C2C=CC=C1C(C)C)C=C4)C1=CC=CC=C1C1=CC=CC=C1

DOS

IR

Vibrations