Geometry & MOs

Info

ID:	248656
PubChem CID:	103083344
Reduced:	BrON3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	351.09462
ΔH_f, kcal/mol:	24.31
Dipole, Da:	2.43
IP(EA), eV:	-9.52(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations