Geometry & MOs

Info

ID:	250433
PubChem CID:	103096545
Reduced:	BrFN2O2C12H12 (1)
Stoich.:	ABC2D2E12F12 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	-59.06
Dipole, Da:	4.97
IP(EA), eV:	-9.7(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)C2=C(C=CC=C2Br)F)O

DOS

IR

Vibrations