Geometry & MOs

Info

ID:	26498
PubChem CID:	650442
Reduced:	O2N6H26C27 (1)
Stoich.:	A2B6C26D27 (1)
Weight, g/mol:	383.159354
ΔH_f, kcal/mol:	77.38
Dipole, Da:	3.32
IP(EA), eV:	-8.34(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-methyl-6-(4-methylphenyl)-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-2-yl]acetate

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CN4N=C(N=N4)C5=CC=C(C=C5)N6CCOCC6

DOS

IR

Vibrations