Geometry & MOs

Info

ID:

299294

PubChem CID:

117682515

Reduced:

NOH28C33 (2)

Stoich.:

ABC28D33 (2)

Weight, g/mol:

940.496779

ΔHf, kcal/mol:

122.83

Dipole, Da:

0.59

IP(EA), eV:

 -7.59(-0.88)

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-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C3=C(O2)C(=CC=C3)N(C4=CC=CC=C4)C5=C6C=CC7=C8C6=C(C=CC8=C(C=C7C9CCCCC9)N(C1=CC=CC=C1)C1=CC=CC2=C1OC1=C(C=CC=C21)C)C(=C5)C1CCCCC1

DOS

IR

Vibrations