Geometry & MOs

Info

ID:	248639
PubChem CID:	103083244
Reduced:	BrON3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	323.06332
ΔH_f, kcal/mol:	72.61
Dipole, Da:	4.13
IP(EA), eV:	-9.56(-0.83)
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]-3-methylbutan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NOC(=N2)C(C3=CC=CC=C3)N

DOS

IR

Vibrations