Geometry & MOs

Info

ID:	250687
PubChem CID:	103098311
Reduced:	BrO4N5H8C10 (1)
Stoich.:	AB4C5D8E10 (1)
Weight, g/mol:	277.9763
ΔH_f, kcal/mol:	-3.64
Dipole, Da:	8.28
IP(EA), eV:	-9.67(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)propanamide

Drug info:

PubChemData

Smile

COC(=O)C1=CN=C(C=C1)CN2C(=NC(=N2)[N+](=O)[O-])Br

DOS

IR

Vibrations