Geometry & MOs

Info

ID:	248719
PubChem CID:	103083900
Reduced:	BrOSN2C16H21 (1)
Stoich.:	ABCD2E16F21 (1)
Weight, g/mol:	309.04767
ΔH_f, kcal/mol:	-4.3
Dipole, Da:	3.23
IP(EA), eV:	-9.01(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromo-2-methylphenyl)-N-tert-butyl-1,2,4-oxadiazol-5-amine

Drug info:

PubChemData

Smile

CCCNCC1=C(N=C(S1)C2=C(C=C(C=C2)Br)C)COC

DOS

IR

Vibrations