Geometry & MOs

Info

ID:	282421
PubChem CID:	103926337
Reduced:	N2O5C14H18 (1)
Stoich.:	A2B5C14D18 (1)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	-135.66
Dipole, Da:	4.89
IP(EA), eV:	-10.25(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3,3-dimethyl-2-[3-(4-methylphenyl)propanoylamino]butanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)N[C@@H](C(=O)O)C(C)(C)C

DOS

IR

Vibrations