Geometry & MOs

Info

ID:	407589
PubChem CID:	135080337
Reduced:	O2C11H16 (1)
Stoich.:	A2B11C16 (1)
Weight, g/mol:	226.229666
ΔH_f, kcal/mol:	-89.03
Dipole, Da:	5.32
IP(EA), eV:	-10.31(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,6R)-2-ethyl-2,6-dimethylcyclohexyl]pentan-3-ol

Drug info:

PubChemData

Smile

CCC1C2C=CC(C1CC)OC2=O

DOS

IR

Vibrations