Geometry & MOs

Info

ID:	250424
PubChem CID:	103096491
Reduced:	O2F3N3C12H12 (1)
Stoich.:	A2B3C3D12E12 (1)
Weight, g/mol:	278.126657
ΔH_f, kcal/mol:	-157.28
Dipole, Da:	3.51
IP(EA), eV:	-10.81(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations