Geometry & MOs

Info

ID:	77796
PubChem CID:	49661534
Reduced:	ClO2N4H13C19 (1)
Stoich.:	AB2C4D13E19 (1)
Weight, g/mol:	456.098918
ΔH_f, kcal/mol:	86.53
Dipole, Da:	6.69
IP(EA), eV:	-9.26(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations