Geometry & MOs

Info

ID:	341951
PubChem CID:	127264644
Reduced:	ClNOC9H14 (1)
Stoich.:	ABCD9E14 (1)
Weight, g/mol:	265.027249
ΔH_f, kcal/mol:	-69.92
Dipole, Da:	4.31
IP(EA), eV:	-9.76(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations