Geometry & MOs

Info

ID:	338206
PubChem CID:	127258898
Reduced:	ClNO4C11H16 (1)
Stoich.:	ABC4D11E16 (1)
Weight, g/mol:	265.027249
ΔH_f, kcal/mol:	-186.18
Dipole, Da:	4.9
IP(EA), eV:	-9.05(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-amino-3-(3-chloro-5-methoxyphenyl)propanoic acid;hydrochloride

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C[C@@H](C(=O)OC)N)O.Cl

DOS

IR

Vibrations