Geometry & MOs

Info

ID:	286888
PubChem CID:	104223405
Reduced:	BrFON3H9C11 (1)
Stoich.:	ABCD3E9F11 (1)
Weight, g/mol:	353.0539
ΔH_f, kcal/mol:	-3.17
Dipole, Da:	5.92
IP(EA), eV:	-9.49(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-bromo-3-fluorophenoxy)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1OC2=NC=C(C=N2)CN)F)Br

DOS

IR

Vibrations