Geometry & MOs

Info

ID:	292727
PubChem CID:	117357470
Reduced:	FO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	242.095437
ΔH_f, kcal/mol:	-201.3
Dipole, Da:	4.19
IP(EA), eV:	-9.14(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-fluoro-2-hydroxy-5-(1-hydroxy-2-methylpropan-2-yl)benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1CCC(=O)O)OC)OC)F

DOS

IR

Vibrations