Geometry & MOs

Info

ID:	313053
PubChem CID:	126611073
Reduced:	O2F3N4H17C19 (1)
Stoich.:	A2B3C4D17E19 (1)
Weight, g/mol:	382.16166
ΔH_f, kcal/mol:	-166.08
Dipole, Da:	9.58
IP(EA), eV:	-8.32(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-N-piperidin-4-yl-1,3-oxazolidine-5-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1N(C[C@H](O1)C(=O)NC2=CC=C(C=C2)N)C3=CC(=C(C=C3)C#N)C(F)(F)F

DOS

IR

Vibrations