Geometry & MOs

Info

ID:	197105
PubChem CID:	78921941
Reduced:	ClNO4C13H14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	293.081871
ΔH_f, kcal/mol:	-154.75
Dipole, Da:	5.0
IP(EA), eV:	-9.73(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[3-(3-chloro-4-methylphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)COC2=CC(=CC=C2)Cl)C(=O)O

DOS

IR

Vibrations