Geometry & MOs

Info

ID:	305484
PubChem CID:	124956121
Reduced:	N2O2F3H23C25 (1)
Stoich.:	A2B2C3D23E25 (1)
Weight, g/mol:	304.189926
ΔH_f, kcal/mol:	-150.74
Dipole, Da:	5.07
IP(EA), eV:	-9.26(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2S)-2-(5-methylpyrazin-2-yl)morpholin-4-yl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C(=O)COC2=CC=CC=C2F)C3=NC=C(C=C3)CC4=C(C=CC=C4F)F

DOS

IR

Vibrations