Geometry & MOs

Info

ID:	336489
PubChem CID:	127255496
Reduced:	ClN2O2C14H21 (1)
Stoich.:	AB2C2D14E21 (1)
Weight, g/mol:	330.134635
ΔH_f, kcal/mol:	-108.79
Dipole, Da:	8.24
IP(EA), eV:	-9.35(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(CN)N2CCC(C2)C(=O)O.Cl

DOS

IR

Vibrations