Geometry & MOs

Info

ID:

316088

PubChem CID:

126630035

Reduced:

N2C123H154 (1)

Stoich.:

A2B123C154 (1)

Weight, g/mol:

1274.60526

ΔHf, kcal/mol:

36.26

Dipole, Da:

2.63

IP(EA), eV:

 -7.85(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-N-[4-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-phenylfluoren-2-yl]phenyl]-2-N-(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine

Drug info:

PubChemData

Smile

CCCCCCCCC1(C2=C(C=CC(=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC6=C(C=C5)C7=C(C6(CCCCCCCC)CCCCCCCC)C=C(C=C7)C8=CC=C(C=C8)N(C9=CC=CC=C9)C2=CC3=C(C=C2)C2=C(C3(CCCCCCCC)CCCCCCCC)C=C(C=C2)C(C)CC)C2=C1C=C(C=C2)C1=CC2=C(CC2)C=C1)CCCCCCCC

DOS

IR

Vibrations