Geometry & MOs

Info

ID:	222006
PubChem CID:	85293307
Reduced:	NO4C11H15 (2)
Stoich.:	AB4C11D15 (2)
Weight, g/mol:	451.16444
ΔH_f, kcal/mol:	-350.46
Dipole, Da:	4.4
IP(EA), eV:	-9.93(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6-amino-8-pyren-1-ylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CCCC1C(=O)OCN1C(=O)OCC2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations