Geometry & MOs

Info

ID:	184034
PubChem CID:	77102584
Reduced:	ON7C13H19 (1)
Stoich.:	AB7C13D19 (1)
Weight, g/mol:	320.00217
ΔH_f, kcal/mol:	52.8
Dipole, Da:	4.33
IP(EA), eV:	-8.43(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodo-2-(3-methylcyclopentyl)-1H-pyrimidine-4,6-dione

Drug info:

PubChemData

Smile

CN(C1CCC2NNC(=O)N2N1)C3=CC=C(C=C3)C(=N)N

DOS

IR

Vibrations