Geometry & MOs

Info

ID:	299167
PubChem CID:	117673723
Reduced:	NO4H19C22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	232.147473
ΔH_f, kcal/mol:	-50.06
Dipole, Da:	5.38
IP(EA), eV:	-8.72(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,6R)-2-butoxy-6-fluorocyclohexyl] acetate

Drug info:

PubChemData

Smile

C#CC1C[C@H]1[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations