Geometry & MOs

Info

ID:	664
PubChem CID:	3163
Reduced:	N5O6C27H31 (1)
Stoich.:	A5B6C27D31 (1)
Weight, g/mol:	521.227434
ΔH_f, kcal/mol:	-153.26
Dipole, Da:	2.81
IP(EA), eV:	-8.69(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[[2-(3,5-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O)C5=CC(=CC(=C5)OC)OC

DOS

IR

Vibrations