Geometry & MOs

Info

ID:	257693
PubChem CID:	103148027
Reduced:	ON2F3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	343.01949
ΔH_f, kcal/mol:	-195.51
Dipole, Da:	3.06
IP(EA), eV:	-9.36(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-4-fluorophenyl)-4-(2,2,2-trifluoroethoxy)butan-2-amine

Drug info:

PubChemData

Smile

CCC1=CN=C(C=C1)CC(CCOCC(F)(F)F)N

DOS

IR

Vibrations