Geometry & MOs

Info

ID:	295034
PubChem CID:	117512319
Reduced:	O5C19H24 (1)
Stoich.:	A5B19C24 (1)
Weight, g/mol:	332.00595
ΔH_f, kcal/mol:	-211.29
Dipole, Da:	4.98
IP(EA), eV:	-8.35(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromo-6-fluoro-2-hydroxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid

Drug info:

PubChemData

Smile

CC1CC2=C(C3=C(CC(O3)C)C(=C2O1)OC)C4(CCCC4)C(=O)O

DOS

IR

Vibrations