Geometry & MOs

Info

ID:	447048
PubChem CID:	135279804
Reduced:	N2F3O3H17C22 (1)
Stoich.:	A2B3C3D17E22 (1)
Weight, g/mol:	282.163123
ΔH_f, kcal/mol:	-171.88
Dipole, Da:	5.86
IP(EA), eV:	-9.88(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethoxy]oxane

Drug info:

PubChemData

Smile

C1[C@H](C1C2=CN=C(C=N2)OCC3=CC(=CC=C3)C4=CC=CC=C4C(F)(F)F)C(=O)O

DOS

IR

Vibrations