Geometry & MOs

Info

ID:	386129
PubChem CID:	134980854
Reduced:	ClHgO3C12H13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	236.214016
ΔH_f, kcal/mol:	-90.18
Dipole, Da:	4.34
IP(EA), eV:	-9.15(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-cyclohexyldec-5-yn-3-ol

Drug info:

PubChemData

Smile

C/C(=C(/C1=CC=C(C=C1)OC)\OC(=O)C)/[Hg]Cl

DOS

IR

Vibrations