Geometry & MOs

Info

ID:	167597
PubChem CID:	74846889
Reduced:	ClO3N5H20C24 (1)
Stoich.:	AB3C5D20E24 (1)
Weight, g/mol:	495.086495
ΔH_f, kcal/mol:	-6.65
Dipole, Da:	10.63
IP(EA), eV:	-8.97(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[[2-(3,4-dichlorophenyl)-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)Cl)C=C3C(=O)N(C(=O)N3)CC4=CC=C(C=C4)C#N

DOS

IR

Vibrations