Geometry & MOs

Info

ID:	248647
PubChem CID:	103083294
Reduced:	BrON5C14H14 (1)
Stoich.:	ABC5D14E14 (1)
Weight, g/mol:	309.04767
ΔH_f, kcal/mol:	73.32
Dipole, Da:	3.63
IP(EA), eV:	-9.51(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NOC(=N2)C(CC3=CN=CN3)N

DOS

IR

Vibrations