Geometry & MOs

Info

ID:	410161
PubChem CID:	135082952
Reduced:	OC11H20 (1)
Stoich.:	AB11C20 (1)
Weight, g/mol:	182.167065
ΔH_f, kcal/mol:	-83.68
Dipole, Da:	3.84
IP(EA), eV:	-9.71(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,6S)-6-tert-butyl-2,3-dimethylcyclohexan-1-one

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](C(=O)CC[C@H]1C(C)C)C

DOS

IR

Vibrations