Geometry & MOs

Info

ID:	246091
PubChem CID:	103043437
Reduced:	FNCl3H11C14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	243.119005
ΔH_f, kcal/mol:	-30.91
Dipole, Da:	3.38
IP(EA), eV:	-9.58(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-fluorophenyl)-3-ethylpentan-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations