Geometry & MOs

Info

ID:	41250
PubChem CID:	8145531
Reduced:	ON3C23H29 (1)
Stoich.:	AB3C23D29 (1)
Weight, g/mol:	413.198894
ΔH_f, kcal/mol:	-7.12
Dipole, Da:	7.2
IP(EA), eV:	-9.15(-0.54)
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-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC[C@@H](C)C1=CC=C(C=C1)[C@@H](C(C)C)NCC2=NC(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations