Geometry & MOs

Info

ID:	250431
PubChem CID:	103096521
Reduced:	N2O2F3H11C12 (1)
Stoich.:	A2B2C3D11E12 (1)
Weight, g/mol:	228.093249
ΔH_f, kcal/mol:	-149.58
Dipole, Da:	3.51
IP(EA), eV:	-10.43(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)C2=C(C=C(C=C2F)F)F)O

DOS

IR

Vibrations