Geometry & MOs

Info

ID:	288091
PubChem CID:	104310767
Reduced:	BrON4C14H15 (1)
Stoich.:	ABC4D14E15 (1)
Weight, g/mol:	296.02727
ΔH_f, kcal/mol:	59.88
Dipole, Da:	4.79
IP(EA), eV:	-9.23(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3-bromopyridin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine

Drug info:

PubChemData

Smile

C1CC2CC1C(C2N)C3=NC(=NO3)C4=C(C=CC=N4)Br

DOS

IR

Vibrations