Geometry & MOs

Info

ID:	294498
PubChem CID:	117464641
Reduced:	BrNO4C10H10 (1)
Stoich.:	ABC4D10E10 (1)
Weight, g/mol:	286.97932
ΔH_f, kcal/mol:	-95.43
Dipole, Da:	5.32
IP(EA), eV:	-8.31(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(5-bromo-1,3-benzodioxol-4-yl)propanoic acid

Drug info:

PubChemData

Smile

C1COC2=C(O1)C(=CC(=C2CON)Br)C=O

DOS

IR

Vibrations