Geometry & MOs

Info

ID:

167595

PubChem CID:

74846887

Reduced:

ClO3N5H18C27 (1)

Stoich.:

AB3C5D18E27 (1)

Weight, g/mol:

472.149518

ΔHf, kcal/mol:

37.49

Dipole, Da:

10.47

IP(EA), eV:

 -9.01(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C(=O)N(N2)C3=CC=C(C=C3)Cl)C=C4C(=O)N(C(=O)N4)CC5=CC=C(C=C5)C#N

DOS

IR

Vibrations