Geometry & MOs

Info

ID:	50586
PubChem CID:	12013136
Reduced:	ClNO2F3H5C11 (1)
Stoich.:	ABC2D3E5F11 (1)
Weight, g/mol:	253.121512
ΔH_f, kcal/mol:	-143.52
Dipole, Da:	1.1
IP(EA), eV:	-10.12(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethoxyphenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)C2=NOC(=C2)C(F)(F)F)Cl

DOS

IR

Vibrations