Geometry & MOs

Info

ID:	340387
PubChem CID:	127262398
Reduced:	O5C12H20 (1)
Stoich.:	A5B12C20 (1)
Weight, g/mol:	228.172545
ΔH_f, kcal/mol:	-247.3
Dipole, Da:	1.33
IP(EA), eV:	-10.57(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R)-2-(hydroxymethyl)cyclohexyl] 2,2-dimethylbutanoate

Drug info:

PubChemData

Smile

CC(=O)OCOCC(=O)OCC1CCCCC1

DOS

IR

Vibrations