Geometry & MOs

Info

ID:	430537
PubChem CID:	135170603
Reduced:	NO4C8H11 (1)
Stoich.:	AB4C8D11 (1)
Weight, g/mol:	166.09938
ΔH_f, kcal/mol:	-147.57
Dipole, Da:	1.89
IP(EA), eV:	-9.69(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,6-trimethyl-5-methylidenecyclohexane-1,4-dione

Drug info:

PubChemData

Smile

CC(=O)OC1C=C(C(=O)N1C)OC

DOS

IR

Vibrations