Geometry & MOs

Info

ID:

299260

PubChem CID:

117682352

Reduced:

NOH26C31 (2)

Stoich.:

ABC26D31 (2)

Weight, g/mol:

908.434179

ΔHf, kcal/mol:

120.34

Dipole, Da:

1.15

IP(EA), eV:

 -7.63(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-bis(3-methylphenyl)pyrene-1,6-diamine

Drug info:

PubChemData

Smile

CCCCC1=C2C(=CC=C1)C3=C(O2)C(=CC=C3)N(C4=C5C=CC6=C7C5=C(C=CC7=C(C=C6)N(C8=CC=CC=C8C)C9=CC=CC1=C9OC2=C(C=CC=C12)CCCC)C=C4)C1=CC=CC=C1C

DOS

IR

Vibrations