Geometry & MOs

Info

ID:	303163
PubChem CID:	124489295
Reduced:	ON3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	286.063968
ΔH_f, kcal/mol:	11.59
Dipole, Da:	5.17
IP(EA), eV:	-9.37(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations