Geometry & MOs

Info

ID:

299272

PubChem CID:

117682413

Reduced:

NOH30C37 (2)

Stoich.:

ABC30D37 (2)

Weight, g/mol:

1008.465479

ΔHf, kcal/mol:

169.57

Dipole, Da:

1.94

IP(EA), eV:

 -7.75(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N,6-N-bis[6-(2,2-dimethylpropyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-phenylphenyl)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=C8C9=CC=CC=C9)C1=CC=CC2=C1OC1=C(C=CC=C21)CC(C)(C)C)C=C4)C1=CC=CC=C1C1=CC=CC=C1

DOS

IR

Vibrations