Geometry & MOs

Info

ID:	670
PubChem CID:	3171
Reduced:	NO5C9H11 (1)
Stoich.:	AB5C9D11 (1)
Weight, g/mol:	213.063722
ΔH_f, kcal/mol:	-193.77
Dipole, Da:	5.7
IP(EA), eV:	-9.13(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(C(C(=O)O)N)O)O)O

DOS

IR

Vibrations