Geometry & MOs

Info

ID:	45431
PubChem CID:	10513272
Reduced:	NO4C11H13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	223.084458
ΔH_f, kcal/mol:	-149.07
Dipole, Da:	3.3
IP(EA), eV:	-9.83(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(carboxymethylamino)-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@@H](CC(=O)N1)C2=COC=C2

DOS

IR

Vibrations