Geometry & MOs

Info

ID:	167594
PubChem CID:	74846886
Reduced:	ClO4N5H18C23 (1)
Stoich.:	AB4C5D18E23 (1)
Weight, g/mol:	495.109817
ΔH_f, kcal/mol:	-31.15
Dipole, Da:	9.64
IP(EA), eV:	-8.99(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC1=C(C(=O)N(N1)C2=CC=C(C=C2)Cl)C=C3C(=O)N(C(=O)N3)CC4=CC=C(C=C4)C#N

DOS

IR

Vibrations