Geometry & MOs

Info

ID:	77779
PubChem CID:	49661413
Reduced:	O3N4H18C21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	436.153541
ΔH_f, kcal/mol:	45.15
Dipole, Da:	8.5
IP(EA), eV:	-8.79(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C2=NOC(=N2)C3=NN(C=CC3=O)C4=CC=CC(=C4)C

DOS

IR

Vibrations