Geometry & MOs

Info

ID:	20052
PubChem CID:	577744
Reduced:	OC4H4 (3)
Stoich.:	AB4C4 (3)
Weight, g/mol:	204.078644
ΔH_f, kcal/mol:	-108.2
Dipole, Da:	4.21
IP(EA), eV:	-9.31(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-hydroxyphenyl)cyclohexane-1,3-dione

Drug info:

PubChemData

Smile

C1C(CC(=O)CC1=O)C2=CC=C(C=C2)O

DOS

IR

Vibrations