Geometry & MOs

Info

ID:	417263
PubChem CID:	135091868
Reduced:	ON4C15H18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	247.124215
ΔH_f, kcal/mol:	23.57
Dipole, Da:	2.13
IP(EA), eV:	-9.12(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-7-ethylsulfonyl-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CC1=NC=CN=C1N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations