Geometry & MOs

Info

ID:	387959
PubChem CID:	134987529
Reduced:	OC11H16 (1)
Stoich.:	AB11C16 (1)
Weight, g/mol:	168.151415
ΔH_f, kcal/mol:	-31.04
Dipole, Da:	3.0
IP(EA), eV:	-9.21(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-butyl-2-methylcyclohexan-1-one

Drug info:

PubChemData

Smile

C1CCC2(C1)C(=O)C23CCCC3

DOS

IR

Vibrations