Geometry & MOs

Info

ID:	178344
PubChem CID:	76313908
Reduced:	ON4C20H22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	460.95211
ΔH_f, kcal/mol:	25.16
Dipole, Da:	4.09
IP(EA), eV:	-8.86(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromophenyl)methylsulfonyl]propyl-trimethylazanium;iodide

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CC=C(C=C2)C3=NC4=C(C=C3)C=CN4CC(=O)N

DOS

IR

Vibrations