Geometry & MOs

Info

ID:	293782
PubChem CID:	117401357
Reduced:	N3O3C13H13 (1)
Stoich.:	A3B3C13D13 (1)
Weight, g/mol:	259.051444
ΔH_f, kcal/mol:	-45.75
Dipole, Da:	5.56
IP(EA), eV:	-8.77(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-[2-(6-methylsulfonyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine

Drug info:

PubChemData

Smile

CC1(C(=O)NC2=C(O1)C=CC(=C2)C3=NOC(=C3)N)C

DOS

IR

Vibrations