Geometry & MOs

Info

ID:	442308
PubChem CID:	135251240
Reduced:	N2F4O4C19H20 (1)
Stoich.:	A2B4C4D19E20 (1)
Weight, g/mol:	395.146819
ΔH_f, kcal/mol:	-343.25
Dipole, Da:	8.56
IP(EA), eV:	-10.2(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl] 3-(4-fluoropyrazol-1-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC12CC(CO2)C3=CC=CC(=C3F)C#N)C(=O)O[C@H](CO)C(F)(F)F

DOS

IR

Vibrations