Geometry & MOs

Info

ID:	217314
PubChem CID:	85087603
Reduced:	NOSC22H25 (1)
Stoich.:	ABCD22E25 (1)
Weight, g/mol:	351.98077
ΔH_f, kcal/mol:	22.81
Dipole, Da:	2.02
IP(EA), eV:	-8.55(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSCC1CCCN1CC(=CC2=CC=CC=C2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations