Geometry & MOs

Info

ID:	420033
PubChem CID:	135110823
Reduced:	FN2O4C18H23 (1)
Stoich.:	AB2C4D18E23 (1)
Weight, g/mol:	320.173607
ΔH_f, kcal/mol:	-198.83
Dipole, Da:	3.38
IP(EA), eV:	-9.35(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-pyridin-3-ylethanone

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=CC(=C(C=C3)OC)F)C(=O)O

DOS

IR

Vibrations