Geometry & MOs

Info

ID:	58724
PubChem CID:	24714779
Reduced:	FSN2O2C14H15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	317.137556
ΔH_f, kcal/mol:	-108.88
Dipole, Da:	2.94
IP(EA), eV:	-8.74(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methylamino]hex-5-en-2-ol

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)F)C3(C1=O)N(CCS3)C(=O)C

DOS

IR

Vibrations