Geometry & MOs

Info

ID:	151204
PubChem CID:	53790904
Reduced:	NOF5C32H32 (1)
Stoich.:	ABC5D32E32 (1)
Weight, g/mol:	276.117058
ΔH_f, kcal/mol:	-247.44
Dipole, Da:	3.96
IP(EA), eV:	-9.81(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-hex-4-enoxy-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole

Drug info:

PubChemData

Smile

C1CCC(C1)C2=NC3=C(C(CC(CC3)C4CC4)O)C(=C2C(C5=CC=C(C=C5)C(F)(F)F)F)C6=CC=C(C=C6)F

DOS

IR

Vibrations