Geometry & MOs

Info

ID:	303319
PubChem CID:	124489505
Reduced:	BrN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	270.093519
ΔH_f, kcal/mol:	-57.97
Dipole, Da:	3.46
IP(EA), eV:	-9.16(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-6-fluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CN([C@H]1CCNC1)C(=O)C2=C(C=CC(=C2)OC)Br

DOS

IR

Vibrations