Geometry & MOs

Info

ID:	85663
PubChem CID:	49877900
Reduced:	O3N5H15C17 (1)
Stoich.:	A3B5C15D17 (1)
Weight, g/mol:	557.09502
ΔH_f, kcal/mol:	39.31
Dipole, Da:	10.17
IP(EA), eV:	-9.27(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-5-(4-bromophenyl)-1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[hydroxy-(4-methylphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C\2=NN=C/C2=C/NNC(=O)CNC(=O)C3=CC=CO3

DOS

IR

Vibrations