Geometry & MOs

Info

ID:	15223
PubChem CID:	433738
Reduced:	N2O3C9H12 (1)
Stoich.:	A2B3C9D12 (1)
Weight, g/mol:	196.084792
ΔH_f, kcal/mol:	-105.82
Dipole, Da:	5.19
IP(EA), eV:	-8.57(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(4-hydroxyanilino)propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NCC(C(=O)O)N)O

DOS

IR

Vibrations