Geometry & MOs

Info

ID:	41177
PubChem CID:	8145403
Reduced:	FO3N4C22H28 (1)
Stoich.:	AB3C4D22E28 (1)
Weight, g/mol:	335.188329
ΔH_f, kcal/mol:	-119.38
Dipole, Da:	3.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762187
Charge, e:	1

Chem-info

IUPAC name:

(5R)-3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-propylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1CCC(=CC1)CCN2C(=O)C(=O)N(C2=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations