Geometry & MOs

Info

ID:	286903
PubChem CID:	104223454
Reduced:	BrFON3C14H15 (1)
Stoich.:	ABCD3E14F15 (1)
Weight, g/mol:	353.0539
ΔH_f, kcal/mol:	-16.43
Dipole, Da:	3.8
IP(EA), eV:	-9.42(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNCC1=CN=C(N=C1)OC2=C(C=CC(=C2)F)Br

DOS

IR

Vibrations