Geometry & MOs

Info

ID:	184170
PubChem CID:	77123556
Reduced:	ClION2H10C12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	326.98686
ΔH_f, kcal/mol:	22.77
Dipole, Da:	4.0
IP(EA), eV:	-9.57(-2.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodo-6-methyl-2-(pyridin-4-ylmethyl)-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=NC(=NC(=O)C1I)CC2=CC(=CC=C2)Cl

DOS

IR

Vibrations