Geometry & MOs

Info

ID:	184898
PubChem CID:	77226302
Reduced:	O5N6C30H40 (1)
Stoich.:	A5B6C30D40 (1)
Weight, g/mol:	401.169919
ΔH_f, kcal/mol:	-158.24
Dipole, Da:	6.95
IP(EA), eV:	-9.45(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[(4-hydroxy-2,6-dimethylphenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCCN(C1)C2=NC3C(N2CC4=CCCC4)C(=O)N(C(=O)N3C)CC(=O)C5=CC=CC=C5

DOS

IR

Vibrations