Geometry & MOs

Info

ID:	18215
PubChem CID:	538942
Reduced:	O2C6H9 (2)
Stoich.:	A2B6C9 (2)
Weight, g/mol:	226.120509
ΔH_f, kcal/mol:	-124.25
Dipole, Da:	5.56
IP(EA), eV:	-9.13(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3,5-trimethyl-3a,4,7,7a-tetrahydro-1,2-benzodioxol-7-yl) acetate

Drug info:

PubChemData

Smile

CC1=CC(C2C(C1)C(OO2)(C)C)OC(=O)C

DOS

IR

Vibrations