Geometry & MOs

Info

ID:	294891
PubChem CID:	117502600
Reduced:	BrFO3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	316.03102
ΔH_f, kcal/mol:	-167.53
Dipole, Da:	3.36
IP(EA), eV:	-9.41(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-bromo-2-ethoxy-3-methoxyphenyl)-2-methylpropanoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=C(C=CC(=C2F)Br)O)C(=O)O

DOS

IR

Vibrations