Geometry & MOs

Info

ID:	123294
PubChem CID:	50840871
Reduced:	ON4H20C22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	410.078183
ΔH_f, kcal/mol:	67.02
Dipole, Da:	5.23
IP(EA), eV:	-8.79(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C3=CC=CC=C3C(=N2)C(=O)NCC4=CC=CC=N4

DOS

IR

Vibrations