Geometry & MOs

Info

ID:	41182
PubChem CID:	8145412
Reduced:	FO2N4C24H27 (1)
Stoich.:	AB2C4D24E27 (1)
Weight, g/mol:	423.219629
ΔH_f, kcal/mol:	-84.81
Dipole, Da:	5.61
IP(EA), eV:	-8.34(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-methylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C[C@@]1(C(=O)N(C(=O)N1)CN2CCN(CC2)C3=CC=C(C=C3)F)C4=CC5=C(CCC5)C=C4

DOS

IR

Vibrations