Geometry & MOs

Info

ID:	23218
PubChem CID:	602817
Reduced:	BrON6H7C11 (1)
Stoich.:	ABC6D7E11 (1)
Weight, g/mol:	317.98647
ΔH_f, kcal/mol:	157.0
Dipole, Da:	3.77
IP(EA), eV:	-9.71(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-(4-bromophenyl)-1,2,4-triazin-3-yl]-1,2,5-oxadiazol-3-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CN=C(N=N2)C3=NON=C3N)Br

DOS

IR

Vibrations