Geometry & MOs

Info

ID:	160086
PubChem CID:	57304680
Reduced:	NSF3O5C20H20 (1)
Stoich.:	ABC3D5E20F20 (1)
Weight, g/mol:	231.160972
ΔH_f, kcal/mol:	-334.62
Dipole, Da:	7.43
IP(EA), eV:	-9.67(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]benzene-1,4-diamine

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)C=C(C=C2)C(C(=O)O)O)CNS(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations