Geometry & MOs

Info

ID:	341952
PubChem CID:	127264645
Reduced:	NCl2O3C10H13 (1)
Stoich.:	AB2C3D10E13 (1)
Weight, g/mol:	229.050571
ΔH_f, kcal/mol:	-148.8
Dipole, Da:	4.97
IP(EA), eV:	-9.12(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations