Geometry & MOs

Info

ID:

378629

PubChem CID:

134224722

Reduced:

NH47C64 (1)

Stoich.:

AB47C64 (1)

Weight, g/mol:

729.249021

ΔHf, kcal/mol:

226.0

Dipole, Da:

0.96

IP(EA), eV:

 -7.97(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-(fluoren-9-ylidenemethyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2C3=CC=CC=C31)CCC4=CC=C(C=C4)C5=CC(=CC=C5)N(C6=CC=C(C=C6)C7=CC=CC=C7)C8=CC9=C(C=C8)C1=CC=CC=C1C=C9C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations