Geometry & MOs

Info

ID:	80890
PubChem CID:	49846798
Reduced:	N2O2F6H10C15 (1)
Stoich.:	A2B2C6D10E15 (1)
Weight, g/mol:	352.139862
ΔH_f, kcal/mol:	-349.22
Dipole, Da:	1.6
IP(EA), eV:	-10.11(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC(F)(F)F)C(=O)NCC2=NC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations