Geometry & MOs

Info

ID:	23112
PubChem CID:	602000
Reduced:	NO4C12H17 (1)
Stoich.:	AB4C12D17 (1)
Weight, g/mol:	239.115758
ΔH_f, kcal/mol:	-150.74
Dipole, Da:	5.54
IP(EA), eV:	-8.69(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(CC(=O)O)N)OC

DOS

IR

Vibrations