Geometry & MOs

Info

ID:	49042
PubChem CID:	11528646
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	220.109944
ΔH_f, kcal/mol:	-136.02
Dipole, Da:	3.5
IP(EA), eV:	-8.79(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-methoxyphenyl)hexane-2,4-dione

Drug info:

PubChemData

Smile

C1CCC2(C1)CC(C3=C(C=CC=C3O2)O)O

DOS

IR

Vibrations