Geometry & MOs

Info

ID:	303164
PubChem CID:	124489297
Reduced:	OCl2N2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	286.063968
ΔH_f, kcal/mol:	-37.38
Dipole, Da:	4.45
IP(EA), eV:	-9.24(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dichlorophenyl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations