Geometry & MOs

Info

ID:	41176
PubChem CID:	8145402
Reduced:	FSN5C21H24 (1)
Stoich.:	ABC5D21E24 (1)
Weight, g/mol:	415.214544
ΔH_f, kcal/mol:	48.59
Dipole, Da:	4.18
IP(EA), eV:	-8.35(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[2-(cyclohexen-1-yl)ethyl]-3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C=NN(C2=S)CN3CCN(CC3)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations