Geometry & MOs

Info

ID:	286881
PubChem CID:	104223364
Reduced:	BrClON3H9C11 (1)
Stoich.:	ABCD3E9F11 (1)
Weight, g/mol:	279.99597
ΔH_f, kcal/mol:	35.65
Dipole, Da:	3.49
IP(EA), eV:	-9.5(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-bromopyridin-3-yl)oxypyrimidin-5-yl]methanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)OC2=NC=C(C=N2)CN)Cl

DOS

IR

Vibrations