Geometry & MOs

Info

ID:	77794
PubChem CID:	49661516
Reduced:	BrFO2N4H10C18 (1)
Stoich.:	ABC2D4E10F18 (1)
Weight, g/mol:	442.108876
ΔH_f, kcal/mol:	60.37
Dipole, Da:	8.18
IP(EA), eV:	-9.56(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-difluorophenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)C2=NOC(=N2)C3=NN(C=CC3=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations