Geometry & MOs

Info

ID:	288392
PubChem CID:	104316140
Reduced:	BrON4C15H19 (1)
Stoich.:	ABC4D15E19 (1)
Weight, g/mol:	354.01499
ΔH_f, kcal/mol:	41.02
Dipole, Da:	2.81
IP(EA), eV:	-9.06(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC1CCCCC1C2=NC(=NO2)C3=C(C=CC=N3)Br

DOS

IR

Vibrations