Geometry & MOs

Info

ID:

5798

PubChem CID:

13814

Reduced:

N3O3H25C33 (1)

Stoich.:

A3B3C25D33 (1)

Weight, g/mol:

511.189592

ΔHf, kcal/mol:

40.75

Dipole, Da:

4.77

IP(EA), eV:

 -9.38(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-(hydroxy-phenyl-pyridin-2-ylmethyl)-10-[phenyl(pyridin-2-yl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=C2C3C=C(C2C4C3C(=O)NC4=O)C(C5=CC=CC=C5)(C6=CC=CC=N6)O)C7=CC=CC=N7

DOS

IR

Vibrations