Geometry & MOs

Info

ID:	250816
PubChem CID:	103099272
Reduced:	BrO4N6H7C8 (1)
Stoich.:	AB4C6D7E8 (1)
Weight, g/mol:	343.98687
ΔH_f, kcal/mol:	31.43
Dipole, Da:	6.08
IP(EA), eV:	-10.49(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(5-bromo-3-nitro-1,2,4-triazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide

Drug info:

PubChemData

Smile

C1=C(OC(=C1)C(=O)NN)CN2C(=NC(=N2)[N+](=O)[O-])Br

DOS

IR

Vibrations