Geometry & MOs

Info

ID:

299251

PubChem CID:

117682329

Reduced:

NOH32C35 (2)

Stoich.:

ABC32D35 (2)

Weight, g/mol:

980.361408

ΔHf, kcal/mol:

96.16

Dipole, Da:

1.51

IP(EA), eV:

 -7.77(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC2=C1OC3=C2C=CC=C3N(C4=CC=C(C=C4)C5CCCCC5)C6=C7C=CC8=C9C7=C(C=CC9=C(C=C8)N(C1=CC=C(C=C1)C1CCCCC1)C1=CC=CC2=C1OC1=C2C=CC=C1C(C)C)C=C6

DOS

IR

Vibrations