Geometry & MOs

Info

ID:	213714
PubChem CID:	81064758
Reduced:	NO2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	268.142307
ΔH_f, kcal/mol:	-164.76
Dipole, Da:	4.24
IP(EA), eV:	-9.97(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CNC(=O)C1=CC=CC=C1

DOS

IR

Vibrations