Geometry & MOs

Info

ID:	1424
PubChem CID:	4400
Reduced:	O4N6C19H22 (1)
Stoich.:	A4B6C19D22 (1)
Weight, g/mol:	398.170253
ΔH_f, kcal/mol:	-86.49
Dipole, Da:	5.79
IP(EA), eV:	-9.02(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-(benzylamino)purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)C1C(C(C(O1)N2C=NC3=C(N=CN=C32)NCC4=CC=CC=C4)O)O

DOS

IR

Vibrations