Geometry & MOs

Info

ID:	294335
PubChem CID:	117453410
Reduced:	FO5C14H15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	282.110338
ΔH_f, kcal/mol:	-214.75
Dipole, Da:	5.35
IP(EA), eV:	-8.94(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2-[2-methoxy-3-(oxan-4-yloxy)phenyl]acetic acid

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1C3(CCC3)C(=O)O)OCCO2)F

DOS

IR

Vibrations