Geometry & MOs

Info

ID:	429857
PubChem CID:	135169910
Reduced:	ClN2O3C9H9 (1)
Stoich.:	AB2C3D9E9 (1)
Weight, g/mol:	493.054481
ΔH_f, kcal/mol:	-71.67
Dipole, Da:	3.35
IP(EA), eV:	-8.82(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[[1-(3-chloroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]-6-(triazol-2-yl)pyridin-3-amine

Drug info:

PubChemData

Smile

CONC1=CC2=C(C(=C1)Cl)OCC(=O)N2

DOS

IR

Vibrations