Geometry & MOs

Info

ID:	325563
PubChem CID:	126683974
Reduced:	O4H28C31 (1)
Stoich.:	A4B28C31 (1)
Weight, g/mol:	268.086622
ΔH_f, kcal/mol:	-62.97
Dipole, Da:	2.33
IP(EA), eV:	-9.44(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(3-chlorophenoxy)ethyl]-5-hydroxycyclohexan-1-one

Drug info:

PubChemData

Smile

C1[C@H](O[C@H]2[C@@H]1O[C@@H](O2)C3=CC=CC=C3)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations