Geometry & MOs

Info

ID:	288404
PubChem CID:	104316311
Reduced:	BrON4H5C7 (1)
Stoich.:	ABC4D5E7 (1)
Weight, g/mol:	262.98066
ΔH_f, kcal/mol:	50.64
Dipole, Da:	5.36
IP(EA), eV:	-9.87(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(5-bromopyridin-2-yl)-1H-1,2,4-triazol-5-yl]acetonitrile

Drug info:

PubChemData

Smile

C1=CC(=NC=C1Br)C2=NC(=O)NN2

DOS

IR

Vibrations