Geometry & MOs

Info

ID:	248649
PubChem CID:	103083298
Reduced:	BrON3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	347.00695
ΔH_f, kcal/mol:	27.51
Dipole, Da:	3.72
IP(EA), eV:	-9.31(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NOC(=N2)CCNC(C)C

DOS

IR

Vibrations