Geometry & MOs

Info

ID:	295927
PubChem CID:	117547633
Reduced:	BrO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	298.02046
ΔH_f, kcal/mol:	-98.31
Dipole, Da:	3.23
IP(EA), eV:	-10.07(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2-bromophenyl)oxetan-3-yl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations