Geometry & MOs

Info

ID:

316083

PubChem CID:

126630014

Reduced:

N2C109H144 (1)

Stoich.:

A2B109C144 (1)

Weight, g/mol:

1670.105007

ΔHf, kcal/mol:

-30.77

Dipole, Da:

1.34

IP(EA), eV:

 -7.61(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-N-[4-[9,9-bis[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethyl]-7-phenylfluoren-2-yl]phenyl]-7-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine

Drug info:

PubChemData

Smile

CCCCCCCCC1(C2=C(C=CC(=C2)C3=CC=CC=C3)C4=C1C=C(C=C4)N(C5=CC=CC=C5)C6=CC7=C(C=C6)C8=C(C7(CCCCCCCC)CCCCCCCC)C=C(C=C8)N(C9=CC=CC=C9)C1=CC2=C(C=C1)C1=C(C2(CCCCCCCC)CCCCCCCC)C=C(C=C1)C(C)CC)CCCCCCCC

DOS

IR

Vibrations