Geometry & MOs

Info

ID:	193735
PubChem CID:	78432269
Reduced:	O2N3C7H11 (1)
Stoich.:	A2B3C7D11 (1)
Weight, g/mol:	412.167259
ΔH_f, kcal/mol:	-55.51
Dipole, Da:	8.46
IP(EA), eV:	-9.53(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

C[NH2+]C(CC1=CN=CN1)C(=O)[O-]

DOS

IR

Vibrations