Geometry & MOs

Info

ID:	271815
PubChem CID:	103693050
Reduced:	BrClNO2C9H9 (1)
Stoich.:	ABCD2E9F9 (1)
Weight, g/mol:	273.00006
ΔH_f, kcal/mol:	-69.5
Dipole, Da:	4.25
IP(EA), eV:	-9.73(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-3-(2-bromo-5-methoxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations