Geometry & MOs

Info

ID:	294474
PubChem CID:	117462835
Reduced:	BrFO2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	286.02046
ΔH_f, kcal/mol:	-105.32
Dipole, Da:	4.05
IP(EA), eV:	-9.68(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-2-hydroxy-4-methylphenyl)-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1F)C2(CC2)CC(=O)O)Br

DOS

IR

Vibrations