Geometry & MOs

Info

ID:	274039
PubChem CID:	103806650
Reduced:	BrOSN2C12H17 (1)
Stoich.:	ABCD2E12F17 (1)
Weight, g/mol:	328.05865
ΔH_f, kcal/mol:	-11.51
Dipole, Da:	3.61
IP(EA), eV:	-9.15(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-4-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CNCC1CCN(CC1)C(=O)C2=CSC(=C2)Br

DOS

IR

Vibrations