Geometry & MOs

Info

ID:	283321
PubChem CID:	103974281
Reduced:	O5C12H22 (1)
Stoich.:	A5B12C22 (1)
Weight, g/mol:	242.076593
ΔH_f, kcal/mol:	-250.81
Dipole, Da:	7.23
IP(EA), eV:	-9.91(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxycarbonyl-2-ethyl-4,4,4-trifluorobutanoic acid

Drug info:

PubChemData

Smile

CCOCCC(C(C)C)(C(=O)O)C(=O)OCC

DOS

IR

Vibrations