Geometry & MOs

Info

ID:	435621
PubChem CID:	135191960
Reduced:	NO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	293.101171
ΔH_f, kcal/mol:	-146.56
Dipole, Da:	1.83
IP(EA), eV:	-9.54(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-amino-5-methoxy-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]propanoic acid

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C(=O)OC)NC=O

DOS

IR

Vibrations