Geometry & MOs

Info

ID:	77782
PubChem CID:	49661423
Reduced:	O2F3N4H13C20 (1)
Stoich.:	A2B3C4D13E20 (1)
Weight, g/mol:	404.148455
ΔH_f, kcal/mol:	-68.54
Dipole, Da:	6.94
IP(EA), eV:	-9.45(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations