Geometry & MOs

Info

ID:	167587
PubChem CID:	74846879
Reduced:	ClO3N4H21C23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	408.098918
ΔH_f, kcal/mol:	-37.21
Dipole, Da:	5.88
IP(EA), eV:	-8.87(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-5-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]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)CC4=CC=CC=C4

DOS

IR

Vibrations