Geometry & MOs

Info

ID:	293249
PubChem CID:	117378585
Reduced:	NO2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	250.095357
ΔH_f, kcal/mol:	-145.57
Dipole, Da:	7.85
IP(EA), eV:	-8.74(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(3-ethyl-2-oxo-1,3-benzoxazol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

C1C(=O)NC2=C(C=CC=C2O1)C(CCC(=O)O)N

DOS

IR

Vibrations