Geometry & MOs

Info

ID:	429650
PubChem CID:	135169700
Reduced:	ClSO3N5C19H22 (1)
Stoich.:	ABC3D5E19F22 (1)
Weight, g/mol:	284.11479
ΔH_f, kcal/mol:	-58.34
Dipole, Da:	4.44
IP(EA), eV:	-8.2(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3,3,3-tetrafluoro-1-morpholin-4-ylprop-1-enyl)morpholine

Drug info:

PubChemData

Smile

COC1=CC(=C(C2=C1N=C(S2)NC3CCCC[C@@H]3O)Cl)OCC4=NC(=NC=C4)N

DOS

IR

Vibrations