Geometry & MOs

Info

ID:	416820
PubChem CID:	135090480
Reduced:	OSN3C19H25 (1)
Stoich.:	ABC3D19E25 (1)
Weight, g/mol:	339.184586
ΔH_f, kcal/mol:	7.08
Dipole, Da:	1.88
IP(EA), eV:	-8.46(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-9-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecane-4,5-diol

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C3=NC(=CS3)C4=CC=CC=C4)CO

DOS

IR

Vibrations