Geometry & MOs

Info

ID:	141969
PubChem CID:	52959638
Reduced:	ON4C22H32 (1)
Stoich.:	AB4C22D32 (1)
Weight, g/mol:	482.206639
ΔH_f, kcal/mol:	-23.28
Dipole, Da:	2.72
IP(EA), eV:	-8.12(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8Z)-8-[(E)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)-5H-purine-2,6-dione

Drug info:

PubChemData

Smile

CCCN1C2C(CC3CCCC(C3N2)C)C(=N1)NC(=O)C4=CC=CC(=C4)C

DOS

IR

Vibrations