Geometry & MOs

Info

ID:	374626
PubChem CID:	131342046
Reduced:	OC12H20 (1)
Stoich.:	AB12C20 (1)
Weight, g/mol:	228.20893
ΔH_f, kcal/mol:	-70.41
Dipole, Da:	3.68
IP(EA), eV:	-9.58(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methoxypropan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-ol

Drug info:

PubChemData

Smile

CC(C)CC(C)C1=CCC(=O)CC1

DOS

IR

Vibrations