Geometry & MOs

Info

ID:	246084
PubChem CID:	103043334
Reduced:	ClFON2C14H14 (1)
Stoich.:	ABCD2E14F14 (1)
Weight, g/mol:	388.98435
ΔH_f, kcal/mol:	-41.37
Dipole, Da:	3.2
IP(EA), eV:	-9.21(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-fluorophenyl)-1-(4-iodophenyl)-N-methylethanamine

Drug info:

PubChemData

Smile

COC1=C(C=CN=C1)C(CC2=CC(=C(C=C2)F)Cl)N

DOS

IR

Vibrations