Geometry & MOs

Info

ID:

299301

PubChem CID:

117682533

Reduced:

NOH28C36 (2)

Stoich.:

ABC28D36 (2)

Weight, g/mol:

780.258835

ΔHf, kcal/mol:

178.24

Dipole, Da:

0.15

IP(EA), eV:

 -7.83(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N,6-N-bis(4-fluorophenyl)-1-N,6-N-bis(6-methyldibenzofuran-4-yl)pyrene-1,6-diamine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC2=C1OC3=C2C=CC=C3N(C4=C5C=CC6=C7C5=C(C=CC7=C(C=C6)N(C8=CC=CC(=C8)C9=CC=CC=C9)C1=CC=CC2=C1OC1=C2C=CC=C1C(C)(C)C)C=C4)C1=CC=CC(=C1)C1=CC=CC=C1

DOS

IR

Vibrations