Geometry & MOs

Info

ID:	250426
PubChem CID:	103096495
Reduced:	FNOC6H6 (2)
Stoich.:	ABCD6E6 (2)
Weight, g/mol:	268.102334
ΔH_f, kcal/mol:	-102.4
Dipole, Da:	4.88
IP(EA), eV:	-10.35(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)C2=C(C=CC=C2F)F)O

DOS

IR

Vibrations