Geometry & MOs

Info

ID:	50179
PubChem CID:	12012689
Reduced:	ClF2O3C5H7 (1)
Stoich.:	AB2C3D5E7 (1)
Weight, g/mol:	308.121099
ΔH_f, kcal/mol:	-220.35
Dipole, Da:	3.31
IP(EA), eV:	-8.89(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-yl] 3-methylbutanoate

Drug info:

PubChemData

Smile

COC(=C(OC(F)F)Cl)OC

DOS

IR

Vibrations