Geometry & MOs

Info

ID:	128734
PubChem CID:	51055910
Reduced:	NO5C33H33 (1)
Stoich.:	AB5C33D33 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-98.27
Dipole, Da:	2.94
IP(EA), eV:	-8.2(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-3-phenyl-2-(propylamino)propanoic acid

Drug info:

PubChemData

Smile

C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OCC3=CC=CC=C3)NC4=CC=CC=C4)OCC5=CC=CC=C5)OC(O1)C6=CC=CC=C6

DOS

IR

Vibrations