Geometry & MOs

Info

ID:	293187
PubChem CID:	117376391
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-137.14
Dipole, Da:	2.41
IP(EA), eV:	-8.82(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-[4-(oxan-4-yl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)C(=C(C=C2)O)C(CN)C(=O)O

DOS

IR

Vibrations