Geometry & MOs

Info

ID:	306060
PubChem CID:	125001495
Reduced:	OF3N3H22C23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	296.152478
ΔH_f, kcal/mol:	-119.04
Dipole, Da:	2.59
IP(EA), eV:	-8.94(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-1-[(2S)-2-(pyridin-3-ylmethyl)morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

C1CO[C@H](CN1CC2=CC=CC=N2)C3=CC=CC(=N3)CC4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations