Geometry & MOs

Info

ID:	336487
PubChem CID:	127255494
Reduced:	OCl3N3C13H20 (1)
Stoich.:	AB3C3D13E20 (1)
Weight, g/mol:	304.074533
ΔH_f, kcal/mol:	-95.28
Dipole, Da:	6.93
IP(EA), eV:	-10.1(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1N)CCC(=O)C2=CN=C(C=C2)Cl.Cl.Cl

DOS

IR

Vibrations