Geometry & MOs

Info

ID:	372421
PubChem CID:	131297412
Reduced:	BrClNO3C9H9 (1)
Stoich.:	ABCD3E9F9 (1)
Weight, g/mol:	273.00006
ΔH_f, kcal/mol:	-106.38
Dipole, Da:	1.74
IP(EA), eV:	-9.92(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(4-bromo-2-methylphenyl)-2-hydroxypropanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(C(C(=O)O)O)N)Cl)Br

DOS

IR

Vibrations