Geometry & MOs

Info

ID:	294762
PubChem CID:	117488996
Reduced:	BrNO4C11H14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	303.01062
ΔH_f, kcal/mol:	-141.12
Dipole, Da:	4.41
IP(EA), eV:	-8.96(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(4-bromo-2-hydroxy-3-methoxy-6-methylphenyl)propanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(CN)C(=O)O)OC)Br

DOS

IR

Vibrations