Geometry & MOs

Info

ID:

299268

PubChem CID:

117682406

Reduced:

NOH26C31 (2)

Stoich.:

ABC26D31 (2)

Weight, g/mol:

912.465479

ΔHf, kcal/mol:

112.81

Dipole, Da:

1.12

IP(EA), eV:

 -7.78(-1.04)

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-bis(3,5-dimethylphenyl)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=C7)N(C9=CC=CC=C9)C3=CC=CC4=C3OC3=C(C=CC(=C43)C)C(C)(C)C)C=C5)OC2=C(C=C1)C(C)(C)C

DOS

IR

Vibrations