Geometry & MOs

Info

ID:	184
PubChem CID:	2253
Reduced:	NO2C5H8 (2)
Stoich.:	AB2C5D8 (2)
Weight, g/mol:	228.111007
ΔH_f, kcal/mol:	-143.81
Dipole, Da:	5.09
IP(EA), eV:	-9.82(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(5-tert-butyl-3-oxo-1,2-oxazol-4-yl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C(=O)NO1)CC(C(=O)O)N

DOS

IR

Vibrations