Geometry & MOs

Info

ID:	355043
PubChem CID:	127287904
Reduced:	ClN3O4C17H20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	368.03717
ΔH_f, kcal/mol:	-146.72
Dipole, Da:	4.84
IP(EA), eV:	-9.36(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N[C@H]1C(=O)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)Cl

DOS

IR

Vibrations