Geometry & MOs

Info

ID:	228803
PubChem CID:	87565839
Reduced:	NSO2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	291.207253
ΔH_f, kcal/mol:	-46.27
Dipole, Da:	3.44
IP(EA), eV:	-8.92(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-2-hydroxy-2-(3,7,11-trimethyldodeca-2,6,10-trienoxy)ethenediazonium

Drug info:

PubChemData

Smile

CC(=O)SC\1CCNC/C1=C\C2=COC=C2

DOS

IR

Vibrations