Geometry & MOs

Info

ID:	273973
PubChem CID:	103806197
Reduced:	FION2C16H16 (1)
Stoich.:	ABCD2E16F16 (1)
Weight, g/mol:	377.99959
ΔH_f, kcal/mol:	-29.53
Dipole, Da:	3.54
IP(EA), eV:	-9.46(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-2-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCN)CNC(=O)C2=C(C=C(C=C2)F)I

DOS

IR

Vibrations