Geometry & MOs

Info

ID:	272703
PubChem CID:	103752182
Reduced:	BrN2O2F3H8C13 (1)
Stoich.:	AB2C2D3E8F13 (1)
Weight, g/mol:	345.02252
ΔH_f, kcal/mol:	-189.89
Dipole, Da:	1.08
IP(EA), eV:	-9.59(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC(F)(F)F)NC(=O)C2=CC(=NC=C2)Br

DOS

IR

Vibrations