Geometry & MOs

Info

ID:	335497
PubChem CID:	127254359
Reduced:	ON6C22H24 (1)
Stoich.:	AB6C22D24 (1)
Weight, g/mol:	567.223017
ΔH_f, kcal/mol:	82.05
Dipole, Da:	5.59
IP(EA), eV:	-8.5(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-hydroxy-3-naphthalen-2-yloxypropyl)-3-methyl-8-[(2E)-2-(2-oxo-1-propylindol-3-ylidene)hydrazinyl]purine-2,6-dione

Drug info:

PubChemData

Smile

CC(C)N1C=C(C2=CC=CC=C21)CCNC(=O)C3=CC=C(C=C3)CN4C=NN=N4

DOS

IR

Vibrations