Geometry & MOs

Info

ID:	148233
PubChem CID:	53787895
Reduced:	O6C25H32 (1)
Stoich.:	A6B25C32 (1)
Weight, g/mol:	340.15537
ΔH_f, kcal/mol:	-231.81
Dipole, Da:	4.9
IP(EA), eV:	-8.94(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[(6-chloro-5-ethylpyridin-3-yl)oxymethyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1C([C@@H]([C@H](C1O)C=CC(CCC2=CC3=CC=CC=C3O2)O)CC=CCCCC(=O)O)O

DOS

IR

Vibrations