Geometry & MOs

Info

ID:	305779
PubChem CID:	124968877
Reduced:	FSO3N4C19H21 (1)
Stoich.:	ABC3D4E19F21 (1)
Weight, g/mol:	278.174276
ΔH_f, kcal/mol:	-82.48
Dipole, Da:	6.44
IP(EA), eV:	-9.29(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpiperidin-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(N=C1)S(=O)(=O)N2CCCC[C@H]2C3=NC=C(O3)CC4=CC(=CC=C4)F

DOS

IR

Vibrations