Geometry & MOs

Info

ID:	341444
PubChem CID:	127264137
Reduced:	FN2O5C17H23 (1)
Stoich.:	AB2C5D17E23 (1)
Weight, g/mol:	324.184921
ΔH_f, kcal/mol:	-192.84
Dipole, Da:	4.34
IP(EA), eV:	-9.69(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R)-3-[(5-amino-2-fluorophenoxy)methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@H](C1)COC2=C(C=CC(=C2)[N+](=O)[O-])F

DOS

IR

Vibrations