Geometry & MOs

Info

ID:	293185
PubChem CID:	117376373
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-100.04
Dipole, Da:	1.79
IP(EA), eV:	-8.46(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(2-cyclobutyloxy-5-methylphenyl)propanoic acid

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)OCOC2)C3CCCCN3

DOS

IR

Vibrations