Geometry & MOs

Info

ID:	304198
PubChem CID:	124498623
Reduced:	ClON2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	238.087291
ΔH_f, kcal/mol:	-26.55
Dipole, Da:	6.55
IP(EA), eV:	-9.58(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(6-chloro-4-methylpyridin-3-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1[C@H]2CCCN2C=O)Cl

DOS

IR

Vibrations