Geometry & MOs

Info

ID:	207842
PubChem CID:	80459196
Reduced:	BrFON3C15H19 (1)
Stoich.:	ABCD3E15F19 (1)
Weight, g/mol:	291.143471
ΔH_f, kcal/mol:	-40.07
Dipole, Da:	3.31
IP(EA), eV:	-8.96(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-fluoro-6-methoxyphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1Br)CC(C2=C(C=CC=C2F)OC)N)C

DOS

IR

Vibrations