Geometry & MOs

Info

ID:	276949
PubChem CID:	103825921
Reduced:	ClFNOC13H15 (1)
Stoich.:	ABCDE13F15 (1)
Weight, g/mol:	205.086957
ΔH_f, kcal/mol:	-95.39
Dipole, Da:	3.47
IP(EA), eV:	-9.0(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-[(3R)-3-hydroxypyrrolidin-1-yl]pentan-1-one

Drug info:

PubChemData

Smile

C1CN(C2=C1C=CC(=C2)F)C(=O)CCCCCl

DOS

IR

Vibrations