Geometry & MOs

Info

ID:	124950
PubChem CID:	50905135
Reduced:	N3O4C13H13 (2)
Stoich.:	A3B4C13D13 (2)
Weight, g/mol:	311.122969
ΔH_f, kcal/mol:	-82.64
Dipole, Da:	9.73
IP(EA), eV:	-8.66(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-[6-(methylamino)purin-9-yl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

C1CN(CCN1CCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])CCCN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

DOS

IR

Vibrations