Geometry & MOs

Info

ID:	248747
PubChem CID:	103084084
Reduced:	BrOSN3C13H14 (1)
Stoich.:	ABCD3E13F14 (1)
Weight, g/mol:	323.06332
ΔH_f, kcal/mol:	41.03
Dipole, Da:	0.65
IP(EA), eV:	-9.03(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NOC(=N2)C3CSCC3N

DOS

IR

Vibrations