Geometry & MOs

Info

ID:	289036
PubChem CID:	104332142
Reduced:	FOCl2N3H12C14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	271.075705
ΔH_f, kcal/mol:	-46.43
Dipole, Da:	3.76
IP(EA), eV:	-9.02(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NN)C(=O)NC2=C(C=C(C=C2Cl)F)Cl

DOS

IR

Vibrations