Geometry & MOs

Info

ID:	416717
PubChem CID:	135090169
Reduced:	NO2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	353.200237
ΔH_f, kcal/mol:	-163.09
Dipole, Da:	3.24
IP(EA), eV:	-7.98(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)N2CCC[C@@]3(C2)CCC[C@H]3O)OC

DOS

IR

Vibrations