Geometry & MOs

Info

ID:	205869
PubChem CID:	80168469
Reduced:	FN3O3C12H16 (1)
Stoich.:	AB3C3D12E16 (1)
Weight, g/mol:	282.137971
ΔH_f, kcal/mol:	-83.35
Dipole, Da:	4.93
IP(EA), eV:	-10.03(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(3-fluoro-4-nitrophenyl)methoxy]ethyl]piperidine

Drug info:

PubChemData

Smile

CCNC(=O)C(C)NCC1=CC(=C(C=C1)[N+](=O)[O-])F

DOS

IR

Vibrations