Geometry & MOs

Info

ID:	41081
PubChem CID:	8145220
Reduced:	FSO2N4C21H23 (1)
Stoich.:	ABC2D4E21F23 (1)
Weight, g/mol:	368.212673
ΔH_f, kcal/mol:	-11.41
Dipole, Da:	4.82
IP(EA), eV:	-8.11(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2R)-1-benzyl-5-methyl-2-phenyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl]-phenyldiazene

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)CN3C(=S)OC(=N3)C4=CC=C(C=C4)F

DOS

IR

Vibrations