Geometry & MOs

Info

ID:	9634
PubChem CID:	91803
Reduced:	O2C6H11 (2)
Stoich.:	A2B6C11 (2)
Weight, g/mol:	230.151809
ΔH_f, kcal/mol:	-236.58
Dipole, Da:	3.58
IP(EA), eV:	-10.64(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-acetyloxy-2,5-dimethylhexan-2-yl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC(C)(C)CCC(C)(C)OC(=O)C

DOS

IR

Vibrations