Geometry & MOs

Info

ID:	407620
PubChem CID:	135080369
Reduced:	O3C10H16 (1)
Stoich.:	A3B10C16 (1)
Weight, g/mol:	240.245316
ΔH_f, kcal/mol:	-110.43
Dipole, Da:	3.93
IP(EA), eV:	-10.59(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC#C[C@@H](CC(=O)OC)O

DOS

IR

Vibrations