Geometry & MOs

Info

ID:	257010
PubChem CID:	103143038
Reduced:	ION2C15H17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	378.04404
ΔH_f, kcal/mol:	22.28
Dipole, Da:	3.82
IP(EA), eV:	-9.06(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C=C(C=N2)C3=CC(=CC=C3)I

DOS

IR

Vibrations