Geometry & MOs

Info

ID:	197805
PubChem CID:	79000589
Reduced:	ClNO5C14H16 (1)
Stoich.:	ABC5D14E16 (1)
Weight, g/mol:	291.147058
ΔH_f, kcal/mol:	-205.92
Dipole, Da:	8.1
IP(EA), eV:	-9.09(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R)-1-[3-(4-ethylphenyl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@H](CN([C@H]1C(=O)O)C(=O)CCOC2=CC(=CC=C2)Cl)O

DOS

IR

Vibrations