Geometry & MOs

Info

ID:	391764
PubChem CID:	135009326
Reduced:	SiO4C20H32 (1)
Stoich.:	AB4C20D32 (1)
Weight, g/mol:	154.09938
ΔH_f, kcal/mol:	-197.41
Dipole, Da:	5.02
IP(EA), eV:	-8.85(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-4,4,5-trimethylcyclohexane-1,3-dione

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@H](CC=O)/C=C/COCC1=CC=C(C=C1)OC

DOS

IR

Vibrations