Geometry & MOs

Info

ID:	9067
PubChem CID:	85783
Reduced:	OC11H20 (1)
Stoich.:	AB11C20 (1)
Weight, g/mol:	168.151415
ΔH_f, kcal/mol:	-86.24
Dipole, Da:	3.68
IP(EA), eV:	-9.8(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,3,5-trimethylcyclohexyl)ethanone

Drug info:

PubChemData

Smile

CC1CC(CC(C1)(C)C)C(=O)C

DOS

IR

Vibrations