Geometry & MOs

Info

ID:	161538
PubChem CID:	57391936
Reduced:	ON7C16H23 (1)
Stoich.:	AB7C16D23 (1)
Weight, g/mol:	314.070972
ΔH_f, kcal/mol:	35.33
Dipole, Da:	1.42
IP(EA), eV:	-8.47(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(4-chlorophenoxy)phenyl]cyclohexane-1,3-dione

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)N2CCNCC2)NC3=CC=CC=C3OC

DOS

IR

Vibrations