Geometry & MOs

Info

ID:	387916
PubChem CID:	134987389
Reduced:	OC13H14 (1)
Stoich.:	AB13C14 (1)
Weight, g/mol:	140.120115
ΔH_f, kcal/mol:	-12.85
Dipole, Da:	3.51
IP(EA), eV:	-9.65(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2,3,6-trimethylcyclohexan-1-one

Drug info:

PubChemData

Smile

C/C=C/[C@]1(CC2=CC=CC=C2C1=O)C

DOS

IR

Vibrations