Geometry & MOs

Info

ID:

299302

PubChem CID:

117682536

Reduced:

FNOH17C27 (2)

Stoich.:

ABCD17E27 (2)

Weight, g/mol:

828.371579

ΔHf, kcal/mol:

68.97

Dipole, Da:

2.72

IP(EA), eV:

 -7.89(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N,6-N-bis(2-methylphenyl)-1-N,6-N-bis(6-propyldibenzofuran-4-yl)pyrene-1,6-diamine

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C3=C(O2)C(=CC=C3)N(C4=CC=C(C=C4)F)C5=C6C=CC7=C8C6=C(C=CC8=C(C=C7)N(C9=CC=C(C=C9)F)C1=CC=CC2=C1OC1=C(C=CC=C21)C)C=C5

DOS

IR

Vibrations