Geometry & MOs

Info

ID:	250373
PubChem CID:	103096109
Reduced:	F2N2O2C11H16 (1)
Stoich.:	A2B2C2D11E16 (1)
Weight, g/mol:	212.152478
ΔH_f, kcal/mol:	-163.79
Dipole, Da:	3.7
IP(EA), eV:	-10.9(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-hexyl-1,2,4-oxadiazol-3-yl)propan-1-ol

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)C2CCC(CC2)(F)F)O

DOS

IR

Vibrations