Geometry & MOs

Info

ID:	26777
PubChem CID:	798293
Reduced:	FNO3H16C17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	252.089878
ΔH_f, kcal/mol:	-142.33
Dipole, Da:	4.83
IP(EA), eV:	-9.32(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CC=C(C=C2)F

DOS

IR

Vibrations