Geometry & MOs

Info

ID:	260948
PubChem CID:	103210574
Reduced:	ClOF3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	296.079092
ΔH_f, kcal/mol:	-218.31
Dipole, Da:	3.46
IP(EA), eV:	-9.3(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-chloro-3-(2,2,2-trifluoroethoxy)propyl]-4-methoxy-2-methylbenzene

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(CCOCC(F)(F)F)Cl)C

DOS

IR

Vibrations