Geometry & MOs

Info

ID:

436320

PubChem CID:

135198896

Reduced:

N3H31C51 (1)

Stoich.:

A3B31C51 (1)

Weight, g/mol:

741.314398

ΔHf, kcal/mol:

253.86

Dipole, Da:

3.46

IP(EA), eV:

 -8.64(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[3-[7-(9-phenyl-1,2-dihydro-1,10-phenanthrolin-2-yl)-1,2-dihydrophenanthren-3-yl]phenyl]-4,4a-dihydrobenzo[k]phenanthridine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=C(C=CC4=C3N=C(C=C4)C5=CC6=C(C=C5)C=C(C=C6)C7=CC=C(C=C7)C8=NC9=CC=CC=C9C1=C8C=CC3=CC=CC=C31)C=C2

DOS

IR

Vibrations