Geometry & MOs

Info

ID:	167606
PubChem CID:	74846898
Reduced:	ClO3N4C25H25 (1)
Stoich.:	AB3C4D25E25 (1)
Weight, g/mol:	498.145868
ΔH_f, kcal/mol:	-51.49
Dipole, Da:	4.97
IP(EA), eV:	-8.94(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(3-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]-3-(3-phenylpropyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCCC1=C(C(=O)N(N1)C2=CC=C(C=C2)Cl)C=C3C(=O)N(C(=O)N3)CCCC4=CC=CC=C4

DOS

IR

Vibrations