Geometry & MOs

Info

ID:	133937
PubChem CID:	51616844
Reduced:	NF2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	408.192331
ΔH_f, kcal/mol:	-179.39
Dipole, Da:	3.68
IP(EA), eV:	-9.29(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3S)-1-(1,3-benzodioxol-5-ylmethyl)-3-(4-benzylpiperazin-4-ium-1-yl)pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

C1CO[C@H](CN1C(=O)C2=CC(=CC=C2)OC(F)F)C3=CC=CC=C3

DOS

IR

Vibrations