Geometry & MOs

Info

ID:	136564
PubChem CID:	52065006
Reduced:	SO2N6C19H22 (1)
Stoich.:	AB2C6D19E22 (1)
Weight, g/mol:	423.185472
ΔH_f, kcal/mol:	64.52
Dipole, Da:	4.15
IP(EA), eV:	-9.21(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-3-(3,4-dimethylphenyl)-N-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-4-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CC1C2=CC(=NN2)C(=O)NC3CCN(CC3)CC4=NC(=NO4)C5=CC=CS5

DOS

IR

Vibrations