Geometry & MOs

Info

ID:	307933
PubChem CID:	125310791
Reduced:	BrNO2H9C10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	194.080376
ΔH_f, kcal/mol:	-62.46
Dipole, Da:	1.87
IP(EA), eV:	-8.83(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[(5S)-5-(aminomethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]-3H-pyridin-2-one

Drug info:

PubChemData

Smile

C[C@]1(CC(=NN1)CC2=CC3=C(C=C2Br)OCO3)CC4=CC5=C(C=C4Br)OCO5

DOS

IR

Vibrations