Geometry & MOs

Info

ID:	340365
PubChem CID:	127262376
Reduced:	O3C12H22 (1)
Stoich.:	A3B12C22 (1)
Weight, g/mol:	228.172545
ΔH_f, kcal/mol:	-185.68
Dipole, Da:	3.17
IP(EA), eV:	-10.64(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-hydroxy-3-methylbutyl) 2-cyclohexylacetate

Drug info:

PubChemData

Smile

CCCC(O)OC(=O)CC1CCCCC1

DOS

IR

Vibrations