Geometry & MOs

Info

ID:	285179
PubChem CID:	104098488
Reduced:	ClN5H10C11 (1)
Stoich.:	AB5C10D11 (1)
Weight, g/mol:	267.01196
ΔH_f, kcal/mol:	105.95
Dipole, Da:	3.44
IP(EA), eV:	-9.26(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2-(triazol-1-yl)ethyl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NCCN2C=CN=N2)Cl)C#N

DOS

IR

Vibrations