Geometry & MOs

Info

ID:	167586
PubChem CID:	74846747
Reduced:	FO2N3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	436.130218
ΔH_f, kcal/mol:	-118.06
Dipole, Da:	3.64
IP(EA), eV:	-9.61(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2C(C1)C(=O)NC(N2)C3=CC=CC=C3F

DOS

IR

Vibrations