Geometry & MOs

Info

ID:	53347
PubChem CID:	14710536
Reduced:	NSO3C23H29 (1)
Stoich.:	ABC3D23E29 (1)
Weight, g/mol:	289.03275
ΔH_f, kcal/mol:	-86.63
Dipole, Da:	4.57
IP(EA), eV:	-8.44(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,2-trimethyl-3-phenylaziridin-1-ium;iodide

Drug info:

PubChemData

Smile

COC[C@@H]1CCCN1C2C(CCC3=CC=CC=C23)CS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations