Geometry & MOs

Info

ID:	28700
PubChem CID:	829042
Reduced:	N2F3O3C16H17 (1)
Stoich.:	A2B3C3D16E17 (1)
Weight, g/mol:	276.066555
ΔH_f, kcal/mol:	-232.46
Dipole, Da:	6.36
IP(EA), eV:	-9.02(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenoxy)-N-(pyridin-3-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1CCC2=NN([C@]([C@H]2C1)(C(F)(F)F)O)C(=O)COC3=CC=CC=C3

DOS

IR

Vibrations