Geometry & MOs

Info

ID:	193557
PubChem CID:	78406327
Reduced:	SN3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	326.98686
ΔH_f, kcal/mol:	73.25
Dipole, Da:	3.62
IP(EA), eV:	-8.7(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-iodo-6-(2-methylphenyl)-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCN=C2C(C1)C(=NN2)C3=CC=CS3

DOS

IR

Vibrations