Geometry & MOs

Info

ID:	303171
PubChem CID:	124489311
Reduced:	ClON2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	252.102941
ΔH_f, kcal/mol:	-29.68
Dipole, Da:	4.47
IP(EA), eV:	-9.28(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chlorophenyl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations