Geometry & MOs

Info

ID:	201922
PubChem CID:	79604974
Reduced:	N2F3O3C8H11 (1)
Stoich.:	A2B3C3D8E11 (1)
Weight, g/mol:	234.100442
ΔH_f, kcal/mol:	-233.33
Dipole, Da:	2.78
IP(EA), eV:	-10.33(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol

Drug info:

PubChemData

Smile

CC(C1=NOC(=N1)CC(C(F)(F)F)O)OC

DOS

IR

Vibrations