Geometry & MOs

Info

ID:	421504
PubChem CID:	135116131
Reduced:	ON5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	339.184586
ΔH_f, kcal/mol:	23.45
Dipole, Da:	4.74
IP(EA), eV:	-9.06(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

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C1[C@H]([C@@H](CN1CCCN2C=CN=C2)O)CC3=NC=CN=C3

DOS

IR

Vibrations