Geometry & MOs

Info

ID:	248665
PubChem CID:	103083414
Reduced:	BrON3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	309.04767
ΔH_f, kcal/mol:	30.05
Dipole, Da:	2.78
IP(EA), eV:	-9.54(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations