Geometry & MOs

Info

ID:

436323

PubChem CID:

135198958

Reduced:

ON3H51C56 (1)

Stoich.:

AB3C51D56 (1)

Weight, g/mol:

476.225249

ΔHf, kcal/mol:

240.27

Dipole, Da:

2.19

IP(EA), eV:

 -7.7(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-phenyl-8-(13-tetracyclo[7.6.2.04,17.012,16]heptadeca-4,7,9,11,13-pentaenyl)-1,10-phenanthroline

Drug info:

PubChemData

Smile

CC1=C(NC(C=C1)C2=CC=CC=C2)C(=C)N=C(C=C)C3=CC4=C(CC3)C5C=C(C=CC5C=C4)C6=CC=C(C=C6)C7C8=C(C9=C(N7)C=CCC9)C1=C(C=C8)C2C=CCCC2O1

DOS

IR

Vibrations