Geometry & MOs

Info

ID:	77780
PubChem CID:	49661414
Reduced:	O3N4H20C26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	382.063282
ΔH_f, kcal/mol:	79.63
Dipole, Da:	7.1
IP(EA), eV:	-8.79(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C=CC(=O)C(=N2)C3=NC(=NO3)C4=CC=C(C=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations