Geometry & MOs

Info

ID:	171924
PubChem CID:	75441905
Reduced:	NOF2H5C7 (2)
Stoich.:	ABC2D5E7 (2)
Weight, g/mol:	417.299142
ΔH_f, kcal/mol:	-210.25
Dipole, Da:	3.47
IP(EA), eV:	-9.46(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)OCC(F)F)NC(=O)C2=C(C=NC=C2)F

DOS

IR

Vibrations