Geometry & MOs

Info

ID:	288069
PubChem CID:	104310384
Reduced:	OBr2N4H8C13 (1)
Stoich.:	AB2C4D8E13 (1)
Weight, g/mol:	322.04292
ΔH_f, kcal/mol:	94.67
Dipole, Da:	2.88
IP(EA), eV:	-8.86(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromopyridin-2-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)C2=NC(=NO2)C3=NC=C(C=C3)Br)N

DOS

IR

Vibrations