Geometry & MOs

Info

ID:	294763
PubChem CID:	117489004
Reduced:	BrNO4C11H14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	303.01062
ΔH_f, kcal/mol:	-148.05
Dipole, Da:	3.3
IP(EA), eV:	-8.79(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(5-bromo-2,3-dimethoxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C(CN)C(=O)O)O)OC)Br

DOS

IR

Vibrations