Geometry & MOs

Info

ID:	45928
PubChem CID:	10519291
Reduced:	ClNO2H16C18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	314.043579
ΔH_f, kcal/mol:	-39.63
Dipole, Da:	2.57
IP(EA), eV:	-9.23(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl methanesulfonate

Drug info:

PubChemData

Smile

COC(=O)N[C@H]1[C@H](C=CC2=CC=CC=C12)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations