Geometry & MOs

Info

ID:	136365
PubChem CID:	52028293
Reduced:	ClON3C20H20 (1)
Stoich.:	ABC3D20E20 (1)
Weight, g/mol:	323.14339
ΔH_f, kcal/mol:	12.51
Dipole, Da:	4.07
IP(EA), eV:	-8.62(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-(4-fluoro-1-methylindol-3-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations