Geometry & MOs

Info

ID:	138482
PubChem CID:	52371682
Reduced:	SO2N4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	337.202836
ΔH_f, kcal/mol:	-47.54
Dipole, Da:	7.02
IP(EA), eV:	-9.34(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2,6-dimethyl-N-[(2R)-2-methyl-3-(2-methyl-1H-imidazol-3-ium-3-yl)propyl]quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC[C@H]2C3=NN=C4N3CCCCC4)C

DOS

IR

Vibrations