Geometry & MOs

Info

ID:	77774
PubChem CID:	49661385
Reduced:	ON2H10C11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	346.10659
ΔH_f, kcal/mol:	80.41
Dipole, Da:	7.96
IP(EA), eV:	-9.07(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyridazin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2=NOC(=N2)C3=NN(C=CC3=O)C4=CC=CC=C4

DOS

IR

Vibrations