Geometry & MOs

Info

ID:	216096
PubChem CID:	85085704
Reduced:	NO2H11C14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	226.084124
ΔH_f, kcal/mol:	-0.06
Dipole, Da:	6.91
IP(EA), eV:	-8.86(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,2-dimethyl-7-oxo-4,7a-dihydro-3aH-1,3-benzodioxol-4-yl) acetate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3C(=CC=NC3=O)C=C2

DOS

IR

Vibrations