Geometry & MOs

Info

ID:	424490
PubChem CID:	135122874
Reduced:	ClOSF5H5N5C14 (1)
Stoich.:	ABCD5E5F5G14 (1)
Weight, g/mol:	175.100857
ΔH_f, kcal/mol:	-157.65
Dipole, Da:	5.72
IP(EA), eV:	-9.77(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-(fluoromethyl)azetidin-1-yl]acetate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1F)C2=NSC(=N2)NC(=O)C3=NC=CN=C3C(F)(F)F)F)Cl

DOS

IR

Vibrations