Geometry & MOs

Info

ID:	250700
PubChem CID:	103098427
Reduced:	BrClO2H5N5C8 (1)
Stoich.:	ABC2D5E5F8 (1)
Weight, g/mol:	261.02252
ΔH_f, kcal/mol:	72.99
Dipole, Da:	8.92
IP(EA), eV:	-9.68(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-5-bromo-1,2,4-triazol-1-yl)-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1)Cl)CN2C(=NC(=N2)[N+](=O)[O-])Br

DOS

IR

Vibrations