Geometry & MOs

Info

ID:	250707
PubChem CID:	103098462
Reduced:	BrN4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	283.00687
ΔH_f, kcal/mol:	93.6
Dipole, Da:	2.97
IP(EA), eV:	-9.0(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-[(2-methoxypyridin-3-yl)methyl]-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C21)CN3C(=NC(=N3)N)Br

DOS

IR

Vibrations