Geometry & MOs

Info

ID:	41238
PubChem CID:	8145512
Reduced:	N3O4C23H24 (1)
Stoich.:	A3B4C23D24 (1)
Weight, g/mol:	383.188329
ΔH_f, kcal/mol:	-41.43
Dipole, Da:	7.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.880419
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)[C@@H]2CCC[NH+]2CC3=NC(=O)C4=C(N3)C5=CC=CC=C5O4

DOS

IR

Vibrations