Geometry & MOs

Info

ID:	179712
PubChem CID:	76520265
Reduced:	NO6C16H16 (1)
Stoich.:	AB6C16D16 (1)
Weight, g/mol:	411.05427
ΔH_f, kcal/mol:	-199.94
Dipole, Da:	3.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.220847
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-iodo-2,2,7a-trimethyl-4,7-dihydro-3aH-1,3-benzodioxol-4-yl)oxy]-2-methoxypropanamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(O1)C2=CC=C(C=C2)OC)(C(=O)[O-])NC(=O)OC

DOS

IR

Vibrations