Geometry & MOs

Info

ID:	303172
PubChem CID:	124489312
Reduced:	ClON2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	266.118591
ΔH_f, kcal/mol:	-29.73
Dipole, Da:	4.37
IP(EA), eV:	-9.25(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CNC[C@H]1CCN(C1)C(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations