Geometry & MOs

Info

ID:	176542
PubChem CID:	76064618
Reduced:	O2N8C21H24 (1)
Stoich.:	A2B8C21D24 (1)
Weight, g/mol:	444.186966
ΔH_f, kcal/mol:	49.16
Dipole, Da:	6.41
IP(EA), eV:	-9.08(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-5-[6-[[1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]amino]purin-9-yl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC1C(C2NN=C(N2N1)C(C)CC3=CC(=CC=C3)C(=O)O)N4C=NC5=C(N=CN=C54)C

DOS

IR

Vibrations