Geometry & MOs

Info

ID:	140996
PubChem CID:	52798201
Reduced:	F3O3N4C20H23 (1)
Stoich.:	A3B3C4D20E23 (1)
Weight, g/mol:	340.215078
ΔH_f, kcal/mol:	-237.81
Dipole, Da:	8.34
IP(EA), eV:	-9.49(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propyl-N-(2-pyridin-2-ylethyl)-2-(2,4,6-trimethylphenoxy)acetamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC[C@@](C1=NC=CN1C)(C(F)(F)F)O)NC(=O)/C=C/C2=CC=CC=C2

DOS

IR

Vibrations