Geometry & MOs

Info

ID:	222484
PubChem CID:	85300876
Reduced:	ClON2F3H12C16 (1)
Stoich.:	ABC2D3E12F16 (1)
Weight, g/mol:	342.074879
ΔH_f, kcal/mol:	-145.66
Dipole, Da:	6.79
IP(EA), eV:	-9.16(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methoxyphenyl)methoxy]butyl trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N)NC(=CC(=O)C(F)(F)F)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations