Geometry & MOs

Info

ID:	321420
PubChem CID:	126665989
Reduced:	OF3N5H26C31 (1)
Stoich.:	AB3C5D26E31 (1)
Weight, g/mol:	245.060055
ΔH_f, kcal/mol:	-13.71
Dipole, Da:	6.94
IP(EA), eV:	-9.26(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-fluorophenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one

Drug info:

PubChemData

Smile

C=CC1=CC(=CC=C1)C(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)C#N)C(F)(F)F)NCC5CC5

DOS

IR

Vibrations