Geometry & MOs

Info

ID:	218022
PubChem CID:	85088759
Reduced:	ClN5O5C18H20 (1)
Stoich.:	AB5C5D18E20 (1)
Weight, g/mol:	421.151682
ΔH_f, kcal/mol:	-127.71
Dipole, Da:	5.8
IP(EA), eV:	-9.07(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-chloro-6-(3-tricyclo[3.3.1.03,7]nonanylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC2=C3C(=NC(=N2)Cl)N(C=N3)C4C(C(C(O4)CO)O)O

DOS

IR

Vibrations