Geometry & MOs

Info

ID:	294699
PubChem CID:	117483874
Reduced:	BrFNC14H19 (1)
Stoich.:	ABCD14E19 (1)
Weight, g/mol:	299.03433
ΔH_f, kcal/mol:	-38.61
Dipole, Da:	1.83
IP(EA), eV:	-9.46(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromo-5-methylsulfanylphenyl)methyl]piperidine

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=CC(=C1)C2(CCC2)CN)Br)F

DOS

IR

Vibrations