Geometry & MOs

Info

ID:	77784
PubChem CID:	49661482
Reduced:	O2N5H15C19 (1)
Stoich.:	A2B5C15D19 (1)
Weight, g/mol:	398.058196
ΔH_f, kcal/mol:	100.85
Dipole, Da:	11.76
IP(EA), eV:	-9.37(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C3=NC(=NO3)C4=CN=CC=C4

DOS

IR

Vibrations