Geometry & MOs

Info

ID:

379098

PubChem CID:

134352352

Reduced:

NO2H37C59 (1)

Stoich.:

AB2C37D59 (1)

Weight, g/mol:

717.249021

ΔHf, kcal/mol:

193.85

Dipole, Da:

1.74

IP(EA), eV:

 -8.1(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(7-phenylbenzo[a]phenalen-7-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=CC=CC5=C4C2=CC=C5)C6=CC=CC(=C6)C7=CC=C(C=C7)N(C8=CC9=C(C=C8)C1=CC=CC=C1O9)C1=CC2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations