Geometry & MOs

Info

ID:	26623
PubChem CID:	793949
Reduced:	ClNO2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	331.153206
ΔH_f, kcal/mol:	-40.91
Dipole, Da:	3.67
IP(EA), eV:	-8.74(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2N(C1)C(=O)COC3=CC=C(C=C3)Cl

DOS

IR

Vibrations