Geometry & MOs

Info

ID:	18590
PubChem CID:	543659
Reduced:	O3C10H12 (1)
Stoich.:	A3B10C12 (1)
Weight, g/mol:	180.078644
ΔH_f, kcal/mol:	-99.88
Dipole, Da:	0.74
IP(EA), eV:	-9.99(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-5-methyl-2-propan-2-ylcyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(C1=O)O)C(C)C

DOS

IR

Vibrations