Geometry & MOs

Info

ID:	250784
PubChem CID:	103099037
Reduced:	BrON6H9C12 (1)
Stoich.:	ABC6D9E12 (1)
Weight, g/mol:	283.00687
ΔH_f, kcal/mol:	58.13
Dipole, Da:	2.62
IP(EA), eV:	-9.03(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-(6-ethoxypyridin-2-yl)-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(C=N2)C(=O)N)N3C(=NC(=N3)N)Br

DOS

IR

Vibrations