Geometry & MOs

Info

ID:	383886
PubChem CID:	134975917
Reduced:	SO3C8H12 (1)
Stoich.:	AB3C8D12 (1)
Weight, g/mol:	295.06872
ΔH_f, kcal/mol:	-95.52
Dipole, Da:	2.29
IP(EA), eV:	-8.87(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-bromo-2,8,9-trimethyl-2,8,9-triaza-5-azonia-1lambda5-phosphatricyclo[3.3.3.01,5]undecane

Drug info:

PubChemData

Smile

COC1=CC=C(S1)C(OC)OC

DOS

IR

Vibrations