Geometry & MOs

Info

ID:

436318

PubChem CID:

135198875

Reduced:

N2H46C59 (1)

Stoich.:

A2B46C59 (1)

Weight, g/mol:

562.215747

ΔHf, kcal/mol:

294.61

Dipole, Da:

4.76

IP(EA), eV:

 -7.88(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[3-[5-(1,10-phenanthrolin-4-yl)pyridin-2-yl]phenyl]-2,3-dihydrobenzo[k]phenanthridine

Drug info:

PubChemData

Smile

C/C(=C\1/C=C2C3=C(CCC=C3)C(C2=C/C1=C/4\C=CC=CC4=C=C)(C5=CC=CCC5)C6=CC=CC=C6)/C7=CC=C(C=C7)C8=CC=C(C=C8)C9=C1CCC2=C(C1=NC=C9)N=CC=C2

DOS

IR

Vibrations