Geometry & MOs

Info

ID:	321430
PubChem CID:	126666029
Reduced:	O2F3N4H15C24 (1)
Stoich.:	A2B3C4D15E24 (1)
Weight, g/mol:	367.083602
ΔH_f, kcal/mol:	-75.46
Dipole, Da:	0.98
IP(EA), eV:	-9.15(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(4-chlorophenyl)ethyl]-3-methyl-7-pyrimidin-5-yl-[1,2]oxazolo[4,5-d]pyridazin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=CC(=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)C#N)C(F)(F)F

DOS

IR

Vibrations