Geometry & MOs

Info

ID:	209418
PubChem CID:	80670012
Reduced:	BrNO3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	349.01474
ΔH_f, kcal/mol:	-108.94
Dipole, Da:	5.52
IP(EA), eV:	-9.02(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromoethyl)-1-(3-fluorophenyl)sulfonylpiperidine

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=C3C(=CC=C2)OCCO3)CCBr

DOS

IR

Vibrations