Geometry & MOs

Info

ID:

316093

PubChem CID:

126630062

Reduced:

ON3H59C65 (1)

Stoich.:

AB3C59D65 (1)

Weight, g/mol:

2198.66841

ΔHf, kcal/mol:

209.41

Dipole, Da:

1.54

IP(EA), eV:

 -7.66(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)-2,5-dihexylphenyl]phenyl]-7-[4-(N-[4-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)-2,5-dihexylphenyl]phenyl]anilino)phenyl]-9,9-dioctyl-N-phenylfluoren-2-amine

Drug info:

PubChemData

Smile

CCC(CC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC4=C(CC4)C=C3)C5=CC6=C(CC6)C=C5)C7=CC=C(C=C7)N(C8=CC=C(C=C8)N(C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=C(C=C1)OC

DOS

IR

Vibrations