Geometry & MOs

Info

ID:	122571
PubChem CID:	50812766
Reduced:	ClFN3O4H17C20 (1)
Stoich.:	ABC3D4E17F20 (1)
Weight, g/mol:	400.189926
ΔH_f, kcal/mol:	-145.64
Dipole, Da:	3.11
IP(EA), eV:	-9.7(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-N-(5-tert-butyl-2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C(=CC(=N2)C3CC3)C(=O)OC)C(=O)N(C1=O)CC4=C(C=CC=C4Cl)F

DOS

IR

Vibrations