Geometry & MOs

Info

ID:	85667
PubChem CID:	49877912
Reduced:	ON4H22C26 (1)
Stoich.:	AB4C22D26 (1)
Weight, g/mol:	401.144767
ΔH_f, kcal/mol:	114.35
Dipole, Da:	3.4
IP(EA), eV:	-8.91(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-8-[(2E)-2-benzylidenehydrazinyl]-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=CC=C1)/C=NNC(=O)C2=CC(=NN2)C3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations