Geometry & MOs

Info

ID:	250815
PubChem CID:	103099265
Reduced:	BrClH4N4O4C9 (1)
Stoich.:	ABC4D4E4F9 (1)
Weight, g/mol:	329.97122
ΔH_f, kcal/mol:	-0.02
Dipole, Da:	8.41
IP(EA), eV:	-10.84(-2.05)
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]furan-2-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)N2C(=NC(=N2)[N+](=O)[O-])Br)C(=O)O

DOS

IR

Vibrations