Geometry & MOs

Info

ID:	284045
PubChem CID:	104029622
Reduced:	BrNO4C11H12 (1)
Stoich.:	ABC4D11E12 (1)
Weight, g/mol:	258.98441
ΔH_f, kcal/mol:	-148.92
Dipole, Da:	1.75
IP(EA), eV:	-8.82(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxyethyl 3-amino-2-bromobenzoate

Drug info:

PubChemData

Smile

CC(C(=O)OC)OC(=O)C1=C(C(=CC=C1)N)Br

DOS

IR

Vibrations