Geometry & MOs

Info

ID:	248648
PubChem CID:	103083297
Reduced:	BrON3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	323.06332
ΔH_f, kcal/mol:	30.98
Dipole, Da:	1.65
IP(EA), eV:	-9.56(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations