Geometry & MOs

Info

ID:	41235
PubChem CID:	8145507
Reduced:	N2O3H4C5 (2)
Stoich.:	A2B3C4D5 (2)
Weight, g/mol:	383.188329
ΔH_f, kcal/mol:	-39.58
Dipole, Da:	5.59
IP(EA), eV:	-10.54(-2.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1[N+](=O)[O-])NCCC#N)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations