Geometry & MOs

Info

ID:	167609
PubChem CID:	74846901
Reduced:	F3N4O4H19C23 (1)
Stoich.:	A3B4C4D19E23 (1)
Weight, g/mol:	456.140925
ΔH_f, kcal/mol:	-216.06
Dipole, Da:	7.87
IP(EA), eV:	-8.93(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations