Geometry & MOs

Info

ID:

316085

PubChem CID:

126630018

Reduced:

N2C145H168 (1)

Stoich.:

A2B145C168 (1)

Weight, g/mol:

2709.693563

ΔHf, kcal/mol:

116.35

Dipole, Da:

2.86

IP(EA), eV:

 -7.72(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCC1=CC=C(C=C1)C2(C3=C(C=CC(=C3)C4=CC=CC=C4)C5=C2C=C(C=C5)C6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC9=C(C=C8)C1=C(C9(C2=CC=C(C=C2)CCCCCCCC)C2=CC=C(C=C2)CCCCCCCC)C=C(C=C1)N(C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC2=C(C=C1)C1=C(C2(CCCCCCCC)CCCCCCCC)C=C(C=C1)C(C)CC)C1=CC=C(C=C1)CCCCCCCC

DOS

IR

Vibrations