Geometry & MOs

Info

ID:	399985
PubChem CID:	135044358
Reduced:	ON2Cl3H11C12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	283.189592
ΔH_f, kcal/mol:	-21.87
Dipole, Da:	2.37
IP(EA), eV:	-9.58(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (6S)-7-oxo-6-propan-2-yl-2,5,8-triazaspiro[3.5]nonane-2-carboxylate

Drug info:

PubChemData

Smile

CCCCOC1=C2C(=CC(=N1)Cl)C=C(N=C2Cl)Cl

DOS

IR

Vibrations