Geometry & MOs

Info

ID:

167593

PubChem CID:

74846885

Reduced:

ClO3N5H20C28 (1)

Stoich.:

AB3C5D20E28 (1)

Weight, g/mol:

463.104732

ΔHf, kcal/mol:

29.48

Dipole, Da:

5.02

IP(EA), eV:

 -9.26(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=O)C(=C(N2)C3=CC=C(C=C3)Cl)C=C4C(=O)N(C(=O)N4)CC5=CC=C(C=C5)C#N

DOS

IR

Vibrations