Geometry & MOs

Info

ID:	200726
PubChem CID:	79431612
Reduced:	NSBr2C17H21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	249.189278
ΔH_f, kcal/mol:	26.61
Dipole, Da:	3.51
IP(EA), eV:	-9.04(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluorophenyl)-4-pentan-3-ylpiperidine

Drug info:

PubChemData

Smile

CC(C)(C)NCC(CC1=C(C=CS1)Br)C2=CC=C(C=C2)Br

DOS

IR

Vibrations