Geometry & MOs

Info

ID:

167596

PubChem CID:

74846888

Reduced:

O5N6H20C24 (1)

Stoich.:

A5B6C20D24 (1)

Weight, g/mol:

461.125467

ΔHf, kcal/mol:

-3.07

Dipole, Da:

13.37

IP(EA), eV:

 -9.5(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[4-[[2-(4-chlorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])C=C3C(=O)N(C(=O)N3)CC4=CC=C(C=C4)C#N

DOS

IR

Vibrations