Geometry & MOs

Info

ID:	294441
PubChem CID:	117461215
Reduced:	BrNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	285.05284
ΔH_f, kcal/mol:	-60.61
Dipole, Da:	1.95
IP(EA), eV:	-9.13(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromo-2-fluoro-3-methylphenyl)methyl]piperidine

Drug info:

PubChemData

Smile

COCC1=C(C=C(C=C1)C2CNCCO2)Br

DOS

IR

Vibrations