Geometry & MOs

Info

ID:	294839
PubChem CID:	117499101
Reduced:	BrN3O3C11H12 (1)
Stoich.:	AB3C3D11E12 (1)
Weight, g/mol:	313.0062
ΔH_f, kcal/mol:	-18.09
Dipole, Da:	3.97
IP(EA), eV:	-8.81(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5-bromo-2-methoxy-4-methylphenol

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)C2=NOC(=N2)CN)Br

DOS

IR

Vibrations