Geometry & MOs

Info

ID:	295918
PubChem CID:	117547333
Reduced:	O5C13H16 (1)
Stoich.:	A5B13C16 (1)
Weight, g/mol:	224.084872
ΔH_f, kcal/mol:	-171.18
Dipole, Da:	4.75
IP(EA), eV:	-8.62(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-fluorophenyl)oxetan-3-yl]propanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C2(COC2)CC(=O)O

DOS

IR

Vibrations