Geometry & MOs

Info

ID:

379095

PubChem CID:

134352344

Reduced:

NH45C66 (1)

Stoich.:

AB45C66 (1)

Weight, g/mol:

787.3239

ΔHf, kcal/mol:

281.76

Dipole, Da:

1.39

IP(EA), eV:

 -7.9(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(7-phenylbenzo[a]phenalen-7-yl)phenyl]phenyl]naphthalen-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C=C4)N(C5=CC=CC=C5)C6=CC=C(C=C6)C7=CC(=CC=C7)C8(C9=CC=CC=C9C1=CC=CC2=C1C8=CC=C2)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations