Geometry & MOs

Info

ID:	435341
PubChem CID:	135191252
Reduced:	O2N7C17H19 (1)
Stoich.:	A2B7C17D19 (1)
Weight, g/mol:	366.118886
ΔH_f, kcal/mol:	44.33
Dipole, Da:	7.7
IP(EA), eV:	-9.34(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[[6-amino-2-(1H-imidazol-2-yl)-8-oxo-7H-purin-9-yl]methyl]pyridin-2-yl]oxyacetaldehyde

Drug info:

PubChemData

Smile

CNC1=C(N=C(N=C1N(CC2=CC(=CC=C2)CO)C=O)N3C=CC=N3)N

DOS

IR

Vibrations