Geometry & MOs

Info

ID:

299297

PubChem CID:

117682520

Reduced:

NOH30C37 (2)

Stoich.:

ABC30D37 (2)

Weight, g/mol:

912.465479

ΔHf, kcal/mol:

164.44

Dipole, Da:

1.27

IP(EA), eV:

 -7.75(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N,6-N-bis(6-tert-butyl-9-methyldibenzofuran-4-yl)-1-N,6-N-bis(3,5-dimethylphenyl)pyrene-1,6-diamine

Drug info:

PubChemData

Smile

CC(C)(C)CC1=C2C(=CC=C1)C3=C(O2)C(=CC=C3)N(C4=CC=C(C=C4)C5=CC=CC=C5)C6=C7C=CC8=C9C7=C(C=CC9=C(C=C8)N(C1=CC=C(C=C1)C1=CC=CC=C1)C1=CC=CC2=C1OC1=C(C=CC=C21)CC(C)(C)C)C=C6

DOS

IR

Vibrations