Geometry & MOs

Info

ID:	444720
PubChem CID:	135263373
Reduced:	N2O2C8H17 (2)
Stoich.:	A2B2C8D17 (2)
Weight, g/mol:	329.109707
ΔH_f, kcal/mol:	-225.93
Dipole, Da:	4.31
IP(EA), eV:	-9.11(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-fluoro-5-(4-methylsulfonylpiperidin-1-yl)phenyl]acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCNCCCCNCCCNC(=O)O

DOS

IR

Vibrations