Geometry & MOs

Info

ID:	294429
PubChem CID:	117460420
Reduced:	ClNO3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	284.9913
ΔH_f, kcal/mol:	-93.25
Dipole, Da:	2.16
IP(EA), eV:	-8.37(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)CNOC)Cl)OC2CCCC2

DOS

IR

Vibrations