Geometry & MOs

Info

ID:	303168
PubChem CID:	124489307
Reduced:	ClFON2C13H16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	270.093519
ΔH_f, kcal/mol:	-76.23
Dipole, Da:	4.98
IP(EA), eV:	-9.33(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-2-fluorophenyl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CNC[C@@H]1CCN(C1)C(=O)C2=C(C=CC(=C2)Cl)F

DOS

IR

Vibrations