Geometry & MOs

Info

ID:	137206
PubChem CID:	52169859
Reduced:	ClNO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	257.081871
ΔH_f, kcal/mol:	-115.92
Dipole, Da:	8.38
IP(EA), eV:	-9.45(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3-chloro-4-ethoxyphenyl)methylamino]propanoic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C[NH2+][C@H](C)C(=O)[O-])Cl

DOS

IR

Vibrations