Geometry & MOs

Info

ID:	295926
PubChem CID:	117547628
Reduced:	O3C16H22 (1)
Stoich.:	A3B16C22 (1)
Weight, g/mol:	298.02046
ΔH_f, kcal/mol:	-119.82
Dipole, Da:	5.31
IP(EA), eV:	-9.63(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2(COC2)CC(C)C(=O)O

DOS

IR

Vibrations