Geometry & MOs

Info

ID:	304194
PubChem CID:	124498562
Reduced:	N2O2C19H22 (1)
Stoich.:	A2B2C19D22 (1)
Weight, g/mol:	330.113506
ΔH_f, kcal/mol:	-40.47
Dipole, Da:	3.84
IP(EA), eV:	-8.97(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1OC)[C@@H]2CCCCN2C(=O)C3=CC=CC=C3

DOS

IR

Vibrations