Geometry & MOs

Info

ID:	294170
PubChem CID:	117430503
Reduced:	BrOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	271.085601
ΔH_f, kcal/mol:	-52.91
Dipole, Da:	3.66
IP(EA), eV:	-9.35(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)C1=C(C=C(C=C1)Br)C(C)(C)CO

DOS

IR

Vibrations