Geometry & MOs

Info

ID:	250427
PubChem CID:	103096504
Reduced:	F2N2O2C13H14 (1)
Stoich.:	A2B2C2D13E14 (1)
Weight, g/mol:	292.139862
ΔH_f, kcal/mol:	-110.81
Dipole, Da:	3.33
IP(EA), eV:	-10.33(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)CC2=C(C=CC=C2F)F)O

DOS

IR

Vibrations