Geometry & MOs

Info

ID:	303158
PubChem CID:	124489283
Reduced:	N2O3C15H20 (1)
Stoich.:	A2B3C15D20 (1)
Weight, g/mol:	282.113506
ΔH_f, kcal/mol:	-92.29
Dipole, Da:	5.21
IP(EA), eV:	-8.88(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC[C@@H]1CCN(C1)C(=O)C2=C3C(=CC=C2)OCCO3

DOS

IR

Vibrations