Geometry & MOs

Info

ID:	197804
PubChem CID:	78999983
Reduced:	N2O2C6H9 (2)
Stoich.:	A2B2C6D9 (2)
Weight, g/mol:	313.0717
ΔH_f, kcal/mol:	-135.82
Dipole, Da:	6.52
IP(EA), eV:	-9.85(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CN1C=CC=N1)NC(=O)N2C[C@@H](C[C@@H]2C(=O)O)O

DOS

IR

Vibrations