Geometry & MOs

Info

ID:	250692
PubChem CID:	103098396
Reduced:	BrClO3N4C5H6 (1)
Stoich.:	ABC3D4E5F6 (1)
Weight, g/mol:	327.89935
ΔH_f, kcal/mol:	-7.05
Dipole, Da:	5.81
IP(EA), eV:	-10.9(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-(3-bromo-2-methylpropyl)-3-nitro-1,2,4-triazole

Drug info:

PubChemData

Smile

C(C(CCl)O)N1C(=NC(=N1)[N+](=O)[O-])Br

DOS

IR

Vibrations