Geometry & MOs

Info

ID:	294073
PubChem CID:	117426317
Reduced:	NO5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	269.126323
ΔH_f, kcal/mol:	-188.39
Dipole, Da:	5.69
IP(EA), eV:	-8.92(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-[3,6-dimethoxy-2-(methoxymethyl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)OC)OC)C(CCC(=O)O)N

DOS

IR

Vibrations