Geometry & MOs

Info

ID:	441613
PubChem CID:	135237310
Reduced:	N2F3O4C17H21 (1)
Stoich.:	A2B3C4D17E21 (1)
Weight, g/mol:	536.193435
ΔH_f, kcal/mol:	-322.03
Dipole, Da:	8.33
IP(EA), eV:	-10.03(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3-(5-cyano-2-fluorophenyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC12CC(CO2)C3=CC=CC=N3)C(=O)O[C@H](CO)C(F)(F)F

DOS

IR

Vibrations