Geometry & MOs

Info

ID:	274040
PubChem CID:	103806651
Reduced:	BrFON2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	376.04479
ΔH_f, kcal/mol:	-69.99
Dipole, Da:	4.25
IP(EA), eV:	-9.18(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluoro-2-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CNCC1CCN(CC1)C(=O)C2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations