Geometry & MOs

Info

ID:	442307
PubChem CID:	135251231
Reduced:	N2F3O4C18H23 (1)
Stoich.:	A2B3C4D18E23 (1)
Weight, g/mol:	416.13592
ΔH_f, kcal/mol:	-314.67
Dipole, Da:	2.62
IP(EA), eV:	-9.39(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl] 3-(3-cyano-2-fluorophenyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

Drug info:

PubChemData

Smile

COC1=NC=CC(=C1)C2CC3(C2)CCN(CC3)C(=O)O[C@H](CO)C(F)(F)F

DOS

IR

Vibrations