Geometry & MOs

Info

ID:	289088
PubChem CID:	104335366
Reduced:	BrClON3C14H15 (1)
Stoich.:	ABCD3E14F15 (1)
Weight, g/mol:	388.97919
ΔH_f, kcal/mol:	4.52
Dipole, Da:	3.72
IP(EA), eV:	-8.77(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-(ethoxymethyl)-N-(4-iodophenyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)Cl)NC2=C(C=C(C=C2)C)Br

DOS

IR

Vibrations