Geometry & MOs

Info

ID:	325582
PubChem CID:	126684057
Reduced:	F2O2C13H14 (1)
Stoich.:	A2B2C13D14 (1)
Weight, g/mol:	394.073865
ΔH_f, kcal/mol:	-182.08
Dipole, Da:	4.64
IP(EA), eV:	-10.22(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-bis[(4-chlorophenoxy)methyl]-5-hydroxycyclohexan-1-one

Drug info:

PubChemData

Smile

C1C(CC(=O)CC1O)C(C2=CC=CC=C2)(F)F

DOS

IR

Vibrations