Geometry & MOs

Info

ID:	256997
PubChem CID:	103143001
Reduced:	BrClNOH11C16 (1)
Stoich.:	ABCDE11F16 (1)
Weight, g/mol:	350.01274
ΔH_f, kcal/mol:	22.75
Dipole, Da:	1.75
IP(EA), eV:	-9.23(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodo-1-methyl-3-[(5-methyloxolan-2-yl)methyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(C3=C(C=C(C=C3)Cl)Br)O

DOS

IR

Vibrations