Geometry & MOs

Info

ID:	295086
PubChem CID:	117516176
Reduced:	BrO3F4H7C11 (1)
Stoich.:	AB3C4D7E11 (1)
Weight, g/mol:	342.01029
ΔH_f, kcal/mol:	-278.67
Dipole, Da:	2.0
IP(EA), eV:	-9.96(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-bromo-5-methoxy-1,3-benzodioxol-4-yl)-3-cyclopropylpropanoic acid

Drug info:

PubChemData

Smile

C1CC1(C2=CC3=C(C=C2Br)OC(C(O3)(F)F)(F)F)O

DOS

IR

Vibrations