Geometry & MOs

Info

ID:	210906
PubChem CID:	80869856
Reduced:	ClON3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	279.00072
ΔH_f, kcal/mol:	10.11
Dipole, Da:	1.08
IP(EA), eV:	-8.9(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-(3-methylphenoxy)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OC2=NC(=NC=C2C)NC

DOS

IR

Vibrations