Geometry & MOs

Info

ID:	447597
PubChem CID:	135284129
Reduced:	FS2O3N4C22H23 (1)
Stoich.:	AB2C3D4E22F23 (1)
Weight, g/mol:	345.154035
ΔH_f, kcal/mol:	-76.59
Dipole, Da:	9.33
IP(EA), eV:	-9.05(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-(fluoromethyl)-2-(4-fluorophenyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CCN([C@@H](C1)C2=CC=C(C=C2)F)[C@@H]3CCOC4=C3C=CC(=C4)S(=O)(=O)NC5=NC=NS5

DOS

IR

Vibrations