Geometry & MOs

Info

ID:	23800
PubChem CID:	606113
Reduced:	FNOC13H16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	221.121592
ΔH_f, kcal/mol:	-70.83
Dipole, Da:	5.21
IP(EA), eV:	-8.36(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoro-4-pyrrolidin-1-ylphenyl)propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)C1=CC(=C(C=C1)N2CCCC2)F

DOS

IR

Vibrations