Geometry & MOs

Info

ID:	449818
PubChem CID:	135301826
Reduced:	FNOH5C6 (2)
Stoich.:	ABCD5E6 (2)
Weight, g/mol:	371.04946
ΔH_f, kcal/mol:	-80.79
Dipole, Da:	4.6
IP(EA), eV:	-10.43(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aR)-5-(5-iodopyridin-2-yl)-2-(oxetan-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

Drug info:

PubChemData

Smile

C1CC1C(=N)OC(=N)C2=CC(=C(C(=C2)F)C=O)F

DOS

IR

Vibrations