Geometry & MOs

Info

ID:	303144
PubChem CID:	124489267
Reduced:	OF2N2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	266.118591
ΔH_f, kcal/mol:	-110.92
Dipole, Da:	4.15
IP(EA), eV:	-9.31(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations