Geometry & MOs

Info

ID:	271824
PubChem CID:	103693299
Reduced:	BrClNOH13C15 (1)
Stoich.:	ABCDE13F15 (1)
Weight, g/mol:	249.114062
ΔH_f, kcal/mol:	-8.84
Dipole, Da:	3.85
IP(EA), eV:	-9.61(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-fluoro-4-(trifluoromethyl)phenyl]pentan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)CNC(=O)C2=CC=C(C=C2)CBr

DOS

IR

Vibrations