Geometry & MOs

Info

ID:	202061
PubChem CID:	79622524
Reduced:	F3O3C8H13 (1)
Stoich.:	A3B3C8D13 (1)
Weight, g/mol:	216.136159
ΔH_f, kcal/mol:	-304.42
Dipole, Da:	5.15
IP(EA), eV:	-10.51(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3-(oxan-2-ylmethoxy)propanoic acid

Drug info:

PubChemData

Smile

CC(C)(COCC(F)(F)F)C(=O)OC

DOS

IR

Vibrations