Geometry & MOs

Info

ID:	286912
PubChem CID:	104223513
Reduced:	BrFON3H9C11 (1)
Stoich.:	ABCD3E9F11 (1)
Weight, g/mol:	355.03317
ΔH_f, kcal/mol:	-2.18
Dipole, Da:	5.55
IP(EA), eV:	-9.55(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations