Geometry & MOs

Info

ID:	206234
PubChem CID:	80222169
Reduced:	ClON3H6C9 (1)
Stoich.:	ABC3D6E9 (1)
Weight, g/mol:	388.97919
ΔH_f, kcal/mol:	13.4
Dipole, Da:	4.25
IP(EA), eV:	-9.85(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-2-(5-chloropyridin-2-yl)-5-iodo-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC(=NC=C1Cl)C2=NC=CC(=O)N2

DOS

IR

Vibrations