Geometry & MOs

Info

ID:	260954
PubChem CID:	103210742
Reduced:	ClO2F4C11H11 (1)
Stoich.:	AB2C4D11E11 (1)
Weight, g/mol:	294.099827
ΔH_f, kcal/mol:	-285.39
Dipole, Da:	5.79
IP(EA), eV:	-9.38(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-chloro-3-(2,2,2-trifluoroethoxy)propyl]-4-propan-2-ylbenzene

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(COCC(F)(F)F)Cl)F

DOS

IR

Vibrations