Geometry & MOs

Info

ID:	6605
PubChem CID:	69212
Reduced:	O3H6C7 (1)
Stoich.:	A3B6C7 (1)
Weight, g/mol:	138.031694
ΔH_f, kcal/mol:	-80.43
Dipole, Da:	6.44
IP(EA), eV:	-9.75(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-5-methylcyclohexa-3,5-diene-1,2-dione

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=O)C=C1O

DOS

IR

Vibrations