Geometry & MOs

Info

ID:	18312
PubChem CID:	539595
Reduced:	O2C7H12 (2)
Stoich.:	A2B7C12 (2)
Weight, g/mol:	256.167459
ΔH_f, kcal/mol:	-224.09
Dipole, Da:	3.08
IP(EA), eV:	-10.61(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(acetyloxymethyl)-2,2,3-trimethylcyclopentyl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1CCC(C1(C)C)(C)COC(=O)C

DOS

IR

Vibrations