Geometry & MOs

Info

ID:	41351
PubChem CID:	8145708
Reduced:	FO3N4C21H28 (1)
Stoich.:	AB3C4D21E28 (1)
Weight, g/mol:	403.214544
ΔH_f, kcal/mol:	-138.7
Dipole, Da:	1.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761593
Charge, e:	1

Chem-info

IUPAC name:

1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-[(1S,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations