Geometry & MOs

Info

ID:

299307

PubChem CID:

117682567

Reduced:

NOH26C31 (2)

Stoich.:

ABC26D31 (2)

Weight, g/mol:

880.402879

ΔHf, kcal/mol:

101.01

Dipole, Da:

0.73

IP(EA), eV:

 -7.6(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,8-dicyclopentyl-1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N(C2=C3C=CC4=C5C3=C(C=CC5=C(C=C4)N(C6=CC=CC7=C6OC8=C7C=CC=C8C(C)C)C9=CC(=CC(=C9)C)C)C=C2)C1=CC=CC2=C1OC1=C2C=CC=C1C(C)C)C

DOS

IR

Vibrations