Geometry & MOs

Info

ID:	136364
PubChem CID:	52028292
Reduced:	ClON3C20H20 (1)
Stoich.:	ABC3D20E20 (1)
Weight, g/mol:	353.12949
ΔH_f, kcal/mol:	12.72
Dipole, Da:	3.86
IP(EA), eV:	-8.59(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-(6-chloro-1-ethylindol-3-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone

Drug info:

PubChemData

Smile

CCN1C=C(C2=C1C=C(C=C2)Cl)[C@@H]3CCCN3C(=O)C4=CC=CC=N4

DOS

IR

Vibrations