Geometry & MOs

Info

ID:	286887
PubChem CID:	104223403
Reduced:	BrFON3C15H17 (1)
Stoich.:	ABCD3E15F17 (1)
Weight, g/mol:	296.9913
ΔH_f, kcal/mol:	-22.67
Dipole, Da:	5.26
IP(EA), eV:	-9.41(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromo-3-fluorophenoxy)pyrimidin-5-yl]methanamine

Drug info:

PubChemData

Smile

CC(C)CNCC1=CN=C(N=C1)OC2=CC(=C(C=C2)Br)F

DOS

IR

Vibrations