Geometry & MOs

Info

ID:	293992
PubChem CID:	117421371
Reduced:	NO5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	267.089543
ΔH_f, kcal/mol:	-181.78
Dipole, Da:	8.34
IP(EA), eV:	-9.06(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(1,3-benzoxazol-2-yl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC2=C1OCCCO2)C(CC(=O)O)N

DOS

IR

Vibrations