Geometry & MOs

Info

ID:	399195
PubChem CID:	135038619
Reduced:	NOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	352.9886
ΔH_f, kcal/mol:	-41.27
Dipole, Da:	4.96
IP(EA), eV:	-8.1(0.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,1-dihydroxy-1-(oxolan-1-ium-1-yl)-1lambda5,2-benziodoxol-3-one

Drug info:

PubChemData

Smile

CC1=C(C=CC2N1CCCC2)C(=O)C

DOS

IR

Vibrations