Geometry & MOs

Info

ID:	215850
PubChem CID:	85085344
Reduced:	O3C9H16 (1)
Stoich.:	A3B9C16 (1)
Weight, g/mol:	172.109944
ΔH_f, kcal/mol:	-140.1
Dipole, Da:	1.02
IP(EA), eV:	-9.88(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,2,5-tetramethyl-6,7,8-trioxabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

CCOC(=O)CC(C=CC)OC

DOS

IR

Vibrations