Geometry & MOs

Info

ID:	77775
PubChem CID:	49661387
Reduced:	O3N4H14C19 (1)
Stoich.:	A3B4C14D19 (1)
Weight, g/mol:	317.091275
ΔH_f, kcal/mol:	65.94
Dipole, Da:	6.27
IP(EA), eV:	-8.92(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyridazin-4-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=NOC(=N2)C3=NN(C=CC3=O)C4=CC=CC=C4

DOS

IR

Vibrations