Geometry & MOs

Info

ID:	168549
PubChem CID:	74986828
Reduced:	Cl2N2O5C13H16 (1)
Stoich.:	A2B2C5D13E16 (1)
Weight, g/mol:	280.105922
ΔH_f, kcal/mol:	-243.56
Dipole, Da:	8.4
IP(EA), eV:	-10.31(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[(4-hydroxyphenyl)methyl]pyrrolidine-2,4-dicarboxylic acid

Drug info:

PubChemData

Smile

C1C(N(CC1(C(=O)O)N)CC2=CC=C(C=C2)O)C(=O)O.[Cl-].[Cl-]

DOS

IR

Vibrations