Geometry & MOs

Info

ID:	429407
PubChem CID:	135169438
Reduced:	ON5H27C44 (1)
Stoich.:	AB5C27D44 (1)
Weight, g/mol:	282.135526
ΔH_f, kcal/mol:	224.87
Dipole, Da:	2.64
IP(EA), eV:	-8.12(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-2,3,3,3-tetrafluoro-1-piperidin-1-ylprop-1-enyl]morpholine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC=C3)N4C5=CC6=CC=CC=C6C=C5C7=C4C8=C(C=C7)N=C(O8)C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations