Geometry & MOs

Info

ID:	320686
PubChem CID:	126662522
Reduced:	NSF3O4H14C17 (1)
Stoich.:	ABC3D4E14F17 (1)
Weight, g/mol:	274.156895
ΔH_f, kcal/mol:	-270.18
Dipole, Da:	6.65
IP(EA), eV:	-9.22(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hexyl-6-(prop-2-ynoxymethyl)-1,3-benzodioxole

Drug info:

PubChemData

Smile

C1C(CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3C(F)(F)F)C(=O)O

DOS

IR

Vibrations