Geometry & MOs

Info

ID:	425460
PubChem CID:	135126409
Reduced:	SF2O4N5C20H21 (1)
Stoich.:	AB2C4D5E20F21 (1)
Weight, g/mol:	267.138305
ΔH_f, kcal/mol:	-151.41
Dipole, Da:	9.87
IP(EA), eV:	-9.22(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-(5-fluoropyridin-2-yl)piperazin-1-yl]acetate

Drug info:

PubChemData

Smile

CC1COC2=CN=C(N=C2O1)/C(=C/C3=CC(=C(C=C3)F)C4(CS(=O)(=O)N(C(=N4)N)C)C)/F

DOS

IR

Vibrations