Geometry & MOs

Info

ID:	8910
PubChem CID:	83442
Reduced:	O4C9H16 (1)
Stoich.:	A4B9C16 (1)
Weight, g/mol:	188.104859
ΔH_f, kcal/mol:	-208.45
Dipole, Da:	1.96
IP(EA), eV:	-10.83(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-acetyloxy-2,2-dimethylpropyl) acetate

Drug info:

PubChemData

Smile

CC(=O)OCC(C)(C)COC(=O)C

DOS

IR

Vibrations