Geometry & MOs

Info

ID:	282585
PubChem CID:	103931866
Reduced:	BrFON2C14H20 (1)
Stoich.:	ABCD2E14F20 (1)
Weight, g/mol:	348.02735
ΔH_f, kcal/mol:	-90.7
Dipole, Da:	4.29
IP(EA), eV:	-9.4(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-(2-bromo-4-fluorophenyl)ethylamino]phenoxy]acetonitrile

Drug info:

PubChemData

Smile

CC(C)CNC(=O)CNC(C)C1=C(C=C(C=C1)F)Br

DOS

IR

Vibrations