Geometry & MOs

Info

ID:	250756
PubChem CID:	103098861
Reduced:	BrO3N4C5H7 (1)
Stoich.:	AB3C4D5E7 (1)
Weight, g/mol:	238.98066
ΔH_f, kcal/mol:	1.45
Dipole, Da:	8.47
IP(EA), eV:	-10.81(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-pyridin-4-yl-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

C(CN1C(=NC(=N1)[N+](=O)[O-])Br)CO

DOS

IR

Vibrations