Geometry & MOs

Info

ID:	288082
PubChem CID:	104310538
Reduced:	BrO2N4C12H13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	349.957
ΔH_f, kcal/mol:	23.15
Dipole, Da:	1.37
IP(EA), eV:	-9.35(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3-bromopyridin-2-yl)-1,2,4-oxadiazol-5-yl]-4-chloroaniline

Drug info:

PubChemData

Smile

C1CC(OC1CN)C2=NC(=NO2)C3=NC=C(C=C3)Br

DOS

IR

Vibrations