Geometry & MOs

Info

ID:	354988
PubChem CID:	127287849
Reduced:	N3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	308.117235
ΔH_f, kcal/mol:	-116.64
Dipole, Da:	4.38
IP(EA), eV:	-9.46(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=C(C=CC=N2)CNC(=O)[C@H]3CCC(=O)N3

DOS

IR

Vibrations