Geometry & MOs

Info

ID:	421774
PubChem CID:	135116570
Reduced:	O3N5C19H27 (1)
Stoich.:	A3B5C19D27 (1)
Weight, g/mol:	392.247521
ΔH_f, kcal/mol:	-34.53
Dipole, Da:	5.48
IP(EA), eV:	-8.72(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-9-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-4-methyl-1-oxa-9-azaspiro[5.5]undecane-4,5-diol

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)CC3=CN=C(N=C3)N4CCOCC4

DOS

IR

Vibrations