Geometry & MOs

Info

ID:	286911
PubChem CID:	104223512
Reduced:	BrFON3C13H13 (1)
Stoich.:	ABCD3E13F13 (1)
Weight, g/mol:	296.9913
ΔH_f, kcal/mol:	-11.51
Dipole, Da:	3.24
IP(EA), eV:	-9.41(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNCC1=CN=C(N=C1)OC2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations