Geometry & MOs

Info

ID:	196990
PubChem CID:	78906393
Reduced:	FCl2O2H11C15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	282.101585
ΔH_f, kcal/mol:	-93.84
Dipole, Da:	3.24
IP(EA), eV:	-9.17(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-fluoro-2-nitrophenoxy)-1-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=CC(=C1)F)OCC2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations