Geometry & MOs

Info

ID:

299236

PubChem CID:

117682287

Reduced:

NOF3H21C30 (2)

Stoich.:

ABC3D21E30 (2)

Weight, g/mol:

952.402879

ΔHf, kcal/mol:

-184.88

Dipole, Da:

5.74

IP(EA), eV:

 -8.26(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N,6-N-bis(3-phenylphenyl)-1-N,6-N-bis(6-propyldibenzofuran-4-yl)pyrene-1,6-diamine

Drug info:

PubChemData

Smile

CCCC1=C2C(=CC=C1)C3=C(O2)C(=CC=C3)N(C4=CC=C(C=C4)C(F)(F)F)C5=C6C=CC7=C8C6=C(C=CC8=C(C=C7)N(C9=CC=C(C=C9)C(F)(F)F)C1=CC=CC2=C1OC1=C(C=CC=C21)CCC)C=C5

DOS

IR

Vibrations