Geometry & MOs

Info

ID:	303166
PubChem CID:	124489299
Reduced:	ClON2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	-40.24
Dipole, Da:	4.17
IP(EA), eV:	-9.21(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CNC[C@@H]1CCN(C1)C(=O)CC2=CC=CC=C2Cl

DOS

IR

Vibrations