Geometry & MOs

Info

ID:	315031
PubChem CID:	126624240
Reduced:	NC12H15 (1)
Stoich.:	AB12C15 (1)
Weight, g/mol:	347.134202
ΔH_f, kcal/mol:	86.46
Dipole, Da:	2.39
IP(EA), eV:	-8.91(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-amino-2-(4-methylpyrazol-1-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

C/C=C(/C=C)\C(=C/C=C)\N=CC=C

DOS

IR

Vibrations