Geometry & MOs

Info

ID:	288096
PubChem CID:	104310998
Reduced:	OBr2N4C13H14 (1)
Stoich.:	AB2C4D13E14 (1)
Weight, g/mol:	401.95139
ΔH_f, kcal/mol:	49.3
Dipole, Da:	2.28
IP(EA), eV:	-9.24(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[3-(3,5-dibromopyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine

Drug info:

PubChemData

Smile

C1CNCCC1CC2=NC(=NO2)C3=C(C=C(C=N3)Br)Br

DOS

IR

Vibrations