Geometry & MOs

Info

ID:

435564

PubChem CID:

135191819

Reduced:

BrSN7O7C38H38 (1)

Stoich.:

ABC7D7E38F38 (1)

Weight, g/mol:

1218.866902

ΔHf, kcal/mol:

-130.14

Dipole, Da:

16.8

IP(EA), eV:

 -8.9(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(3-hexyl-5-methylphenyl)-7-N-[4-(2-hexyl-5-methylphenyl)phenyl]-2-N-[4-(5-hexyl-2-methylphenyl)phenyl]-9-octyl-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC=C(C=C1)N2C=C(N=N2)CN(CC3CCN(CC3)C(=O)NC4=CC=CC=C4)C5=CC=CC(=C5)C6=C(C(=C(S6)C(=O)O)OCC(=O)O)Br

DOS

IR

Vibrations