Geometry & MOs

Info

ID:	257702
PubChem CID:	103148133
Reduced:	OF3N3C14H18 (1)
Stoich.:	AB3C3D14E18 (1)
Weight, g/mol:	343.01949
ΔH_f, kcal/mol:	-163.9
Dipole, Da:	6.02
IP(EA), eV:	-8.8(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-5-fluorophenyl)-4-(2,2,2-trifluoroethoxy)butan-2-amine

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1CC(CCOCC(F)(F)F)N

DOS

IR

Vibrations