Geometry & MOs

Info

ID:	293229
PubChem CID:	117377651
Reduced:	NOSC14H19 (1)
Stoich.:	ABCD14E19 (1)
Weight, g/mol:	249.189278
ΔH_f, kcal/mol:	-21.42
Dipole, Da:	4.51
IP(EA), eV:	-8.42(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-fluoro-4-pentan-3-ylphenyl)methyl]pyrrolidine

Drug info:

PubChemData

Smile

CNCC(=O)C1=CC=CC=C1C2CCSCC2

DOS

IR

Vibrations