Geometry & MOs

Info

ID:	193969
PubChem CID:	78460652
Reduced:	FN6C22H35 (1)
Stoich.:	AB6C22D35 (1)
Weight, g/mol:	374.114568
ΔH_f, kcal/mol:	32.86
Dipole, Da:	13.41
IP(EA), eV:	-6.52(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C1=NN=NN1CC2=CC=C(C=C2)F)[NH+]3CC[NH+](CC3)C4CCCCC4

DOS

IR

Vibrations