Geometry & MOs

Info

ID:	288101
PubChem CID:	104311157
Reduced:	BrN3O3H8C14 (1)
Stoich.:	AB3C3D8E14 (1)
Weight, g/mol:	322.99055
ΔH_f, kcal/mol:	16.88
Dipole, Da:	4.18
IP(EA), eV:	-10.06(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[3-(5-bromopyridin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NC(=NO2)C3=NC=C(C=C3)Br)C(=O)O

DOS

IR

Vibrations