Geometry & MOs

Info

ID:	133540
PubChem CID:	51544599
Reduced:	F3N3O3C22H22 (1)
Stoich.:	A3B3C3D22E22 (1)
Weight, g/mol:	274.131742
ΔH_f, kcal/mol:	-247.17
Dipole, Da:	4.56
IP(EA), eV:	-9.86(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-cyanophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide

Drug info:

PubChemData

Smile

CC[C@@]1(C(=O)N(C(=O)N1)CC(=O)NCCC2=CC=C(C=C2)C(F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations