Geometry & MOs

Info

ID:	250694
PubChem CID:	103098402
Reduced:	BrON2C4H5 (2)
Stoich.:	ABC2D4E5 (2)
Weight, g/mol:	264.98105
ΔH_f, kcal/mol:	50.61
Dipole, Da:	6.99
IP(EA), eV:	-10.76(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C1)(CN2C(=NC(=N2)[N+](=O)[O-])Br)CBr

DOS

IR

Vibrations