Geometry & MOs

Info

ID:	209441
PubChem CID:	80673461
Reduced:	FNOBr2C13H14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	311.01908
ΔH_f, kcal/mol:	-60.47
Dipole, Da:	2.94
IP(EA), eV:	-9.68(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-(oxolan-2-ylmethylsulfonyl)piperidine

Drug info:

PubChemData

Smile

CN(CC1CC(C1)Br)C(=O)C2=C(C=C(C=C2)Br)F

DOS

IR

Vibrations