Geometry & MOs

Info

ID:

439484

PubChem CID:

135229258

Reduced:

N2H19C22 (2)

Stoich.:

A2B19C22 (2)

Weight, g/mol:

830.289306

ΔHf, kcal/mol:

187.65

Dipole, Da:

0.34

IP(EA), eV:

 -8.48(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

phenyl 4-[9-[3-phenoxycarbonyl-5-(9-phenyl-1,10-phenanthrolin-2-yl)cyclohexa-1,5-dien-1-yl]-4a,10b-dihydro-1,10-phenanthrolin-2-yl]benzoate

Drug info:

PubChemData

Smile

C/C=C\C1=C(C2=C(C=C1)C=CC(=N2)C3=CC=CC(=C3)C4=CC=CC(=C4)C5=CC(=CC=C5)C6=NC7=C(C=CC(=C7N=CC)C)C=C6)N(C)C

DOS

IR

Vibrations