Geometry & MOs

Info

ID:	446472
PubChem CID:	135275240
Reduced:	BrFNO2H19C21 (1)
Stoich.:	ABCD2E19F21 (1)
Weight, g/mol:	415.05832
ΔH_f, kcal/mol:	-50.59
Dipole, Da:	4.72
IP(EA), eV:	-9.01(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-5-phenylmethoxyphenoxy)-1-(4-fluorophenyl)ethanamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC(=C(C=C2)Br)OC[C@@H](C3=CC=C(C=C3)F)N

DOS

IR

Vibrations