Geometry & MOs

Info

ID:	321370
PubChem CID:	126665900
Reduced:	F3O4N5H34C37 (1)
Stoich.:	A3B4C5D34E37 (1)
Weight, g/mol:	137.022526
ΔH_f, kcal/mol:	-166.04
Dipole, Da:	3.74
IP(EA), eV:	-8.92(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-[1,2]oxazolo[4,3-c]pyridazin-3-one

Drug info:

PubChemData

Smile

C1CC1(CNCC2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CNC(=O)O)C(F)(F)F)C5=CC(=CC=C5)OCC6=CC=CC=C6

DOS

IR

Vibrations