Geometry & MOs

Info

ID:	77778
PubChem CID:	49661412
Reduced:	ON2H8C10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	374.13789
ΔH_f, kcal/mol:	84.68
Dipole, Da:	8.71
IP(EA), eV:	-9.19(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylphenyl)pyridazin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NOC(=N2)C3=NN(C=CC3=O)C4=CC=CC(=C4)C

DOS

IR

Vibrations