Geometry & MOs

Info

ID:	297391
PubChem CID:	117616682
Reduced:	ClF3O3N5C19H19 (1)
Stoich.:	AB3C3D5E19F19 (1)
Weight, g/mol:	240.147393
ΔH_f, kcal/mol:	-209.13
Dipole, Da:	8.24
IP(EA), eV:	-9.52(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1R,5S)-2-oxo-3,9-diazabicyclo[3.3.1]nonane-9-carboxylate

Drug info:

PubChemData

Smile

C1CN2C(=CC(=N2)C(=O)N3CC(C3)N)CN1C(=O)OCC4=CC(=CC(=C4)Cl)C(F)(F)F

DOS

IR

Vibrations