Geometry & MOs

Info

ID:	209544
PubChem CID:	80686581
Reduced:	SO3N6C9H12 (1)
Stoich.:	AB3C6D9E12 (1)
Weight, g/mol:	338.04907
ΔH_f, kcal/mol:	-41.41
Dipole, Da:	6.85
IP(EA), eV:	-9.37(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=NC(=N1)CCN2C(=O)NN=C2SCC(=O)O

DOS

IR

Vibrations