Geometry & MOs

Info

ID:	295928
PubChem CID:	117547635
Reduced:	BrO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-95.77
Dipole, Da:	5.3
IP(EA), eV:	-9.92(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2,5-dimethylphenyl)oxetan-3-yl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC(CC1(COC1)C2=CC=CC=C2Br)C(=O)O

DOS

IR

Vibrations