Geometry & MOs

Info

ID:	429662
PubChem CID:	135169712
Reduced:	ClOSF3N9H17C23 (1)
Stoich.:	ABCD3E9F17G23 (1)
Weight, g/mol:	268.119876
ΔH_f, kcal/mol:	4.5
Dipole, Da:	11.92
IP(EA), eV:	-8.68(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC=C(C3=C2SC=C3)N4C(=C(C=N4)C(=O)NC5=CC(=C(N=C5)N6N=CC=N6)Cl)C(F)(F)F

DOS

IR

Vibrations