Geometry & MOs

Info

ID:	336490
PubChem CID:	127255497
Reduced:	ClN2O4C15H23 (1)
Stoich.:	AB2C4D15E23 (1)
Weight, g/mol:	288.104084
ΔH_f, kcal/mol:	-177.53
Dipole, Da:	7.64
IP(EA), eV:	-9.17(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-amino-1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(CN)N2CCC(C2)C(=O)O)OC.Cl

DOS

IR

Vibrations