Geometry & MOs

Info

ID:

299278

PubChem CID:

117682433

Reduced:

NOH26C31 (2)

Stoich.:

ABC26D31 (2)

Weight, g/mol:

828.371579

ΔHf, kcal/mol:

118.06

Dipole, Da:

0.25

IP(EA), eV:

 -7.54(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(C2=C3C=CC4=C5C3=C(C=CC5=C(C=C4)N(C6=CC=CC=C6C)C7=CC=CC8=C7OC9=C8C=CC=C9C(C)(C)C)C=C2)C1=CC=CC2=C1OC1=C2C=CC=C1C(C)(C)C

DOS

IR

Vibrations