Geometry & MOs

Info

ID:	303320
PubChem CID:	124489506
Reduced:	ClFON2C13H16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	256.077869
ΔH_f, kcal/mol:	-79.97
Dipole, Da:	3.97
IP(EA), eV:	-9.26(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-fluoro-N-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide

Drug info:

PubChemData

Smile

CN([C@@H]1CCNC1)C(=O)CC2=C(C=CC=C2Cl)F

DOS

IR

Vibrations