Geometry & MOs

Info

ID:	417806
PubChem CID:	135102785
Reduced:	SN3O3C18H21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	267.11384
ΔH_f, kcal/mol:	-65.17
Dipole, Da:	5.89
IP(EA), eV:	-9.06(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-7-(5-chloropyrimidin-2-yl)-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)C3=NNC4=C3COCC4)C5=C1C=CS5

DOS

IR

Vibrations