Geometry & MOs

Info

ID:	289294
PubChem CID:	104344143
Reduced:	BrClO2N3C13H13 (1)
Stoich.:	ABC2D3E13F13 (1)
Weight, g/mol:	371.01307
ΔH_f, kcal/mol:	-19.44
Dipole, Da:	5.36
IP(EA), eV:	-9.38(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(ethoxymethyl)-6-(2-iodophenoxy)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CNC1=CC(=NC(=N1)COC)OC2=C(C=C(C=C2)Cl)Br

DOS

IR

Vibrations