Geometry & MOs

Info

ID:

299273

PubChem CID:

117682415

Reduced:

NOH30C37 (2)

Stoich.:

ABC30D37 (2)

Weight, g/mol:

912.465479

ΔHf, kcal/mol:

166.32

Dipole, Da:

1.07

IP(EA), eV:

 -7.72(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]pyrene-1,6-diamine

Drug info:

PubChemData

Smile

CC(C)(C)CC1=C2C(=CC=C1)C3=C(O2)C(=CC=C3)N(C4=C5C=CC6=C7C5=C(C=CC7=C(C=C6)N(C8=CC=CC(=C8)C9=CC=CC=C9)C1=CC=CC2=C1OC1=C(C=CC=C21)CC(C)(C)C)C=C4)C1=CC=CC(=C1)C1=CC=CC=C1

DOS

IR

Vibrations