Geometry & MOs

Info

ID:	210996
PubChem CID:	80882022
Reduced:	ION4H11C13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	341.00251
ΔH_f, kcal/mol:	80.42
Dipole, Da:	5.41
IP(EA), eV:	-8.67(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-6-(3-iodophenoxy)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CNC1=CN2C=CN=C2C(=N1)OC3=CC(=CC=C3)I

DOS

IR

Vibrations