Geometry & MOs

Info

ID:	327318
PubChem CID:	126689515
Reduced:	O3F4N5H25C28 (1)
Stoich.:	A3B4C5D25E28 (1)
Weight, g/mol:	287.105862
ΔH_f, kcal/mol:	-182.87
Dipole, Da:	3.83
IP(EA), eV:	-9.58(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-phenylphenyl)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

C1CC1COC(C2=CC(=C(C=C2)F)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)(C5=CN=CC=C5)O

DOS

IR

Vibrations