Geometry & MOs

Info

ID:	157016
PubChem CID:	56412701
Reduced:	OSF2N3H17C19 (1)
Stoich.:	ABC2D3E17F19 (1)
Weight, g/mol:	424.165917
ΔH_f, kcal/mol:	-72.14
Dipole, Da:	4.54
IP(EA), eV:	-8.76(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one

Drug info:

PubChemData

Smile

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)NCCC4=NC=CN4C(F)F

DOS

IR

Vibrations