Geometry & MOs

Info

ID:	449819
PubChem CID:	135301830
Reduced:	ION3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	332.221226
ΔH_f, kcal/mol:	28.47
Dipole, Da:	3.48
IP(EA), eV:	-8.61(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 7-(2,5-dimethylpyrimidin-4-yl)-2,7-diazaspiro[4.4]nonane-2-carboxylate

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@@H]2CN1C3COC3)C4=NC=C(C=C4)I

DOS

IR

Vibrations