Geometry & MOs

Info

ID:	77783
PubChem CID:	49661473
Reduced:	N2O2H10C11 (2)
Stoich.:	A2B2C10D11 (2)
Weight, g/mol:	345.122575
ΔH_f, kcal/mol:	16.79
Dipole, Da:	6.87
IP(EA), eV:	-8.43(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C3=NC(=NO3)C4=C(C(=CC=C4)OC)OC

DOS

IR

Vibrations