Geometry & MOs

Info

ID:	77776
PubChem CID:	49661409
Reduced:	O2N5H11C17 (1)
Stoich.:	A2B5C11D17 (1)
Weight, g/mol:	317.091275
ΔH_f, kcal/mol:	114.93
Dipole, Da:	7.13
IP(EA), eV:	-9.47(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=CC(=O)C(=N2)C3=NC(=NO3)C4=CN=CC=C4

DOS

IR

Vibrations