Geometry & MOs

Info

ID:	248750
PubChem CID:	103084102
Reduced:	BrON3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	309.04767
ΔH_f, kcal/mol:	16.02
Dipole, Da:	4.05
IP(EA), eV:	-9.21(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(CC1=NC(=NO1)C2=C(C=C(C=C2)Br)C)NCC

DOS

IR

Vibrations