Geometry & MOs

Info

ID:	294245
PubChem CID:	117442157
Reduced:	FSO5C11H13 (1)
Stoich.:	ABC5D11E13 (1)
Weight, g/mol:	276.136159
ΔH_f, kcal/mol:	-249.58
Dipole, Da:	6.69
IP(EA), eV:	-9.84(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(oxan-3-yloxy)phenyl]cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)CCC(=O)O)F)S(=O)(=O)C

DOS

IR

Vibrations