Geometry & MOs

Info

ID:

439439

PubChem CID:

135229213

Reduced:

N4O4H32C45 (1)

Stoich.:

A4B4C32D45 (1)

Weight, g/mol:

646.284495

ΔHf, kcal/mol:

60.77

Dipole, Da:

12.33

IP(EA), eV:

 -8.88(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[9-(4-aminophenyl)-1,10-phenanthrolin-2-yl]-5-[10b-methyl-9-(4-methylphenyl)-1H-1,10-phenanthrolin-2-yl]aniline

Drug info:

PubChemData

Smile

CC1C=C2C=CC3=C(C2=N[C@H]1C4CC=CC(=C4)C5=NC6=C(C=CC7=C6N=C(C=C7)C8=CC=C(C=C8)C(=O)O)C=C5)N=C(C=C3)C9=CC=C(C=C9)C(=O)O

DOS

IR

Vibrations