Geometry & MOs

Info

ID:	248638
PubChem CID:	103083241
Reduced:	BrON3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	343.03202
ΔH_f, kcal/mol:	23.41
Dipole, Da:	4.7
IP(EA), eV:	-9.5(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C)(C1=NC(=NO1)C2=C(C=C(C=C2)Br)C)N

DOS

IR

Vibrations