Geometry & MOs

Info

ID:	172976
PubChem CID:	75577289
Reduced:	N2O3H22C23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	307.116821
ΔH_f, kcal/mol:	-61.37
Dipole, Da:	2.22
IP(EA), eV:	-8.47(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[8-hydroxy-5-(methoxymethyl)-2,6-dioxabicyclo[3.2.1]octan-7-yl]-4aH-pyrrolo[2,3-d]pyrimidin-2-one

Drug info:

PubChemData

Smile

C1CN2CC(C1=O)C3=C(CC2C(=O)OCC4=CC=CC=C4)C5=CC=CC=C5N3

DOS

IR

Vibrations