Geometry & MOs

Info

ID:	228429
PubChem CID:	87564408
Reduced:	PN2O4C9H23 (1)
Stoich.:	AB2C4D9E23 (1)
Weight, g/mol:	373.135922
ΔH_f, kcal/mol:	-285.42
Dipole, Da:	3.41
IP(EA), eV:	-9.38(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(4-fluorophenyl)-4-methylsulfonyloxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CC(C)C.NP(=O)(O)O

DOS

IR

Vibrations