Geometry & MOs

Info

ID:	304195
PubChem CID:	124498576
Reduced:	ClN2O2C18H19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	296.129156
ΔH_f, kcal/mol:	-52.02
Dipole, Da:	5.53
IP(EA), eV:	-9.51(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-(6-chloro-5-methylpyridin-3-yl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1Cl)[C@@H]2CCCN2C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations