Geometry & MOs

Info

ID:	354990
PubChem CID:	127287851
Reduced:	N3O4C17H21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	333.14887
ΔH_f, kcal/mol:	-154.41
Dipole, Da:	3.28
IP(EA), eV:	-8.98(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N[C@H]1C(=O)NC2=CC=C(C=C2)CC(=O)N3CCOCC3

DOS

IR

Vibrations